USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.436 (180deg=-0.0865) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.093) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00883) USER MOD Single : A 17 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.068) USER MOD Single : A 22 ASN : amide:sc= 1.32 K(o=1.3,f=-2.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.96 K(o=-2,f=-6.3!) 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 -172:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot -38:sc= 0.134 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 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= 0.925 (180deg=0.0474) USER MOD Single : A 89 MET CE :methyl 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 95 THR OG1 : rot 133:sc= 0.481 USER MOD Single : A 99 GLN : amide:sc= -0.0695 K(o=-0.07,f=-6.7!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.209 -17.043 25.013 1.00 11.14 N ATOM 2 CA MET A 1 -1.166 -16.736 24.019 1.00 64.12 C ATOM 3 C MET A 1 0.113 -17.552 24.249 1.00 11.21 C ATOM 4 O MET A 1 1.198 -16.984 24.384 1.00 53.03 O ATOM 5 CB MET A 1 -0.846 -15.235 23.987 1.00 75.23 C ATOM 6 CG MET A 1 -2.062 -14.338 23.783 1.00 71.51 C ATOM 7 SD MET A 1 -2.798 -13.760 25.333 1.00 3.13 S ATOM 8 CE MET A 1 -3.822 -12.434 24.651 1.00 13.41 C ATOM 0 H1 MET A 1 -2.970 -17.589 24.561 1.00 11.14 H new ATOM 0 H2 MET A 1 -1.797 -17.601 25.788 1.00 11.14 H new ATOM 0 H3 MET A 1 -2.598 -16.157 25.393 1.00 11.14 H new ATOM 0 HA MET A 1 -1.569 -17.023 23.048 1.00 64.12 H new ATOM 0 HB2 MET A 1 -0.359 -14.959 24.922 1.00 75.23 H new ATOM 0 HB3 MET A 1 -0.131 -15.045 23.187 1.00 75.23 H new ATOM 0 HG2 MET A 1 -1.771 -13.475 23.184 1.00 71.51 H new ATOM 0 HG3 MET A 1 -2.815 -14.883 23.213 1.00 71.51 H new ATOM 0 HE1 MET A 1 -4.367 -11.944 25.458 1.00 13.41 H new ATOM 0 HE2 MET A 1 -3.186 -11.706 24.147 1.00 13.41 H new ATOM 0 HE3 MET A 1 -4.531 -12.853 23.937 1.00 13.41 H new ATOM 16 N THR A 2 0.059 -18.886 24.309 1.00 31.24 N ATOM 17 CA THR A 2 1.264 -19.722 24.346 1.00 14.02 C ATOM 18 C THR A 2 0.885 -21.111 23.830 1.00 13.01 C ATOM 19 O THR A 2 -0.198 -21.593 24.160 1.00 11.12 O ATOM 20 CB THR A 2 1.854 -19.814 25.777 1.00 54.21 C ATOM 21 OG1 THR A 2 1.754 -18.594 26.490 1.00 4.45 O ATOM 22 CG2 THR A 2 3.341 -20.189 25.743 1.00 52.21 C ATOM 0 H THR A 2 -0.813 -19.414 24.333 1.00 31.24 H new ATOM 0 HA THR A 2 2.036 -19.276 23.718 1.00 14.02 H new ATOM 0 HB THR A 2 1.265 -20.582 26.279 1.00 54.21 H new ATOM 0 HG1 THR A 2 2.138 -18.706 27.385 1.00 4.45 H new ATOM 0 HG21 THR A 2 3.725 -20.246 26.761 1.00 52.21 H new ATOM 0 HG22 THR A 2 3.461 -21.156 25.256 1.00 52.21 H new ATOM 0 HG23 THR A 2 3.895 -19.432 25.188 1.00 52.21 H new ATOM 30 N THR A 3 1.746 -21.738 23.021 1.00 32.42 N ATOM 31 CA THR A 3 1.640 -23.120 22.521 1.00 50.44 C ATOM 32 C THR A 3 0.459 -23.356 21.549 1.00 24.44 C ATOM 33 O THR A 3 0.527 -24.255 20.710 1.00 13.32 O ATOM 34 CB THR A 3 1.667 -24.094 23.724 1.00 63.31 C ATOM 35 OG1 THR A 3 2.713 -23.731 24.612 1.00 72.11 O ATOM 36 CG2 THR A 3 1.898 -25.560 23.341 1.00 12.41 C ATOM 0 H THR A 3 2.585 -21.271 22.676 1.00 32.42 H new ATOM 0 HA THR A 3 2.507 -23.321 21.892 1.00 50.44 H new ATOM 0 HB THR A 3 0.680 -24.013 24.179 1.00 63.31 H new ATOM 0 HG1 THR A 3 2.725 -24.349 25.373 1.00 72.11 H new ATOM 0 HG21 THR A 3 1.903 -26.175 24.241 1.00 12.41 H new ATOM 0 HG22 THR A 3 1.099 -25.893 22.678 1.00 12.41 H new ATOM 0 HG23 THR A 3 2.856 -25.656 22.831 1.00 12.41 H new ATOM 44 N PHE A 4 -0.575 -22.516 21.589 1.00 2.21 N ATOM 45 CA PHE A 4 -1.790 -22.564 20.791 1.00 2.31 C ATOM 46 C PHE A 4 -1.916 -21.314 19.903 1.00 0.11 C ATOM 47 O PHE A 4 -2.878 -21.184 19.149 1.00 20.12 O ATOM 48 CB PHE A 4 -2.975 -22.679 21.768 1.00 11.01 C ATOM 49 CG PHE A 4 -4.107 -23.579 21.315 1.00 22.21 C ATOM 50 CD1 PHE A 4 -4.002 -24.971 21.499 1.00 4.03 C ATOM 51 CD2 PHE A 4 -5.283 -23.032 20.768 1.00 32.32 C ATOM 52 CE1 PHE A 4 -5.068 -25.814 21.143 1.00 60.13 C ATOM 53 CE2 PHE A 4 -6.353 -23.876 20.419 1.00 60.50 C ATOM 54 CZ PHE A 4 -6.247 -25.266 20.607 1.00 74.52 C ATOM 0 H PHE A 4 -0.581 -21.724 22.232 1.00 2.21 H new ATOM 0 HA PHE A 4 -1.772 -23.421 20.118 1.00 2.31 H new ATOM 0 HB2 PHE A 4 -2.601 -23.047 22.724 1.00 11.01 H new ATOM 0 HB3 PHE A 4 -3.376 -21.681 21.945 1.00 11.01 H new ATOM 0 HD1 PHE A 4 -3.099 -25.392 21.915 1.00 4.03 H new ATOM 0 HD2 PHE A 4 -5.364 -21.966 20.616 1.00 32.32 H new ATOM 0 HE1 PHE A 4 -4.982 -26.882 21.281 1.00 60.13 H new ATOM 0 HE2 PHE A 4 -7.258 -23.456 20.006 1.00 60.50 H new ATOM 0 HZ PHE A 4 -7.070 -25.912 20.340 1.00 74.52 H new ATOM 63 N ASP A 5 -0.965 -20.379 20.013 1.00 63.51 N ATOM 64 CA ASP A 5 -1.004 -19.046 19.396 1.00 75.11 C ATOM 65 C ASP A 5 -0.549 -19.078 17.932 1.00 43.32 C ATOM 66 O ASP A 5 -0.857 -18.177 17.153 1.00 73.54 O ATOM 67 CB ASP A 5 -0.094 -18.117 20.211 1.00 24.32 C ATOM 68 CG ASP A 5 -0.466 -16.644 20.061 1.00 1.34 C ATOM 69 OD1 ASP A 5 0.080 -15.944 19.184 1.00 44.13 O ATOM 70 OD2 ASP A 5 -1.242 -16.142 20.911 1.00 12.04 O ATOM 0 H ASP A 5 -0.115 -20.535 20.554 1.00 63.51 H new ATOM 0 HA ASP A 5 -2.032 -18.684 19.400 1.00 75.11 H new ATOM 0 HB2 ASP A 5 -0.148 -18.395 21.264 1.00 24.32 H new ATOM 0 HB3 ASP A 5 0.940 -18.260 19.896 1.00 24.32 H new ATOM 74 N ASP A 6 0.165 -20.147 17.569 1.00 45.00 N ATOM 75 CA ASP A 6 0.718 -20.485 16.259 1.00 52.43 C ATOM 76 C ASP A 6 1.426 -19.322 15.579 1.00 63.24 C ATOM 77 O ASP A 6 1.156 -18.981 14.425 1.00 62.21 O ATOM 78 CB ASP A 6 -0.311 -21.210 15.378 1.00 42.13 C ATOM 79 CG ASP A 6 0.332 -22.451 14.761 1.00 64.23 C ATOM 80 OD1 ASP A 6 1.069 -22.358 13.751 1.00 44.32 O ATOM 81 OD2 ASP A 6 0.107 -23.545 15.340 1.00 22.11 O ATOM 0 H ASP A 6 0.391 -20.867 18.255 1.00 45.00 H new ATOM 0 HA ASP A 6 1.519 -21.204 16.429 1.00 52.43 H new ATOM 0 HB2 ASP A 6 -1.179 -21.495 15.973 1.00 42.13 H new ATOM 0 HB3 ASP A 6 -0.667 -20.543 14.593 1.00 42.13 H new ATOM 85 N ARG A 7 2.411 -18.728 16.262 1.00 13.35 N ATOM 86 CA ARG A 7 3.115 -17.573 15.705 1.00 43.10 C ATOM 87 C ARG A 7 3.967 -17.954 14.499 1.00 70.13 C ATOM 88 O ARG A 7 4.432 -17.066 13.790 1.00 32.32 O ATOM 89 CB ARG A 7 3.953 -16.857 16.781 1.00 10.25 C ATOM 90 CG ARG A 7 3.086 -16.338 17.938 1.00 74.33 C ATOM 91 CD ARG A 7 3.497 -14.958 18.461 1.00 41.11 C ATOM 92 NE ARG A 7 4.520 -14.993 19.514 1.00 1.35 N ATOM 93 CZ ARG A 7 4.836 -13.951 20.298 1.00 32.54 C ATOM 94 NH1 ARG A 7 4.312 -12.742 20.119 1.00 20.13 N ATOM 95 NH2 ARG A 7 5.700 -14.140 21.279 1.00 2.44 N ATOM 0 H ARG A 7 2.733 -19.023 17.184 1.00 13.35 H new ATOM 0 HA ARG A 7 2.357 -16.873 15.353 1.00 43.10 H new ATOM 0 HB2 ARG A 7 4.704 -17.544 17.171 1.00 10.25 H new ATOM 0 HB3 ARG A 7 4.488 -16.023 16.327 1.00 10.25 H new ATOM 0 HG2 ARG A 7 2.048 -16.295 17.608 1.00 74.33 H new ATOM 0 HG3 ARG A 7 3.130 -17.053 18.759 1.00 74.33 H new ATOM 0 HD2 ARG A 7 3.870 -14.362 17.628 1.00 41.11 H new ATOM 0 HD3 ARG A 7 2.613 -14.450 18.846 1.00 41.11 H new ATOM 0 HE ARG A 7 5.024 -15.868 19.659 1.00 1.35 H new ATOM 0 HH11 ARG A 7 3.645 -12.582 19.364 1.00 20.13 H new ATOM 0 HH12 ARG A 7 4.577 -11.975 20.736 1.00 20.13 H new ATOM 0 HH21 ARG A 7 6.110 -15.062 21.427 1.00 2.44 H new ATOM 0 HH22 ARG A 7 5.957 -13.364 21.889 1.00 2.44 H new ATOM 106 N GLU A 8 4.061 -19.252 14.209 1.00 33.13 N ATOM 107 CA GLU A 8 4.667 -19.801 13.020 1.00 14.23 C ATOM 108 C GLU A 8 3.663 -19.770 11.865 1.00 64.14 C ATOM 109 O GLU A 8 3.656 -18.818 11.084 1.00 51.12 O ATOM 110 CB GLU A 8 5.277 -21.183 13.296 1.00 72.30 C ATOM 111 CG GLU A 8 6.271 -21.477 12.151 1.00 11.43 C ATOM 112 CD GLU A 8 7.008 -22.810 12.267 1.00 3.23 C ATOM 113 OE1 GLU A 8 7.897 -22.938 13.136 1.00 23.25 O ATOM 114 OE2 GLU A 8 6.803 -23.689 11.399 1.00 11.42 O ATOM 0 H GLU A 8 3.697 -19.973 14.832 1.00 33.13 H new ATOM 0 HA GLU A 8 5.509 -19.182 12.711 1.00 14.23 H new ATOM 0 HB2 GLU A 8 5.786 -21.194 14.260 1.00 72.30 H new ATOM 0 HB3 GLU A 8 4.500 -21.946 13.337 1.00 72.30 H new ATOM 0 HG2 GLU A 8 5.729 -21.459 11.205 1.00 11.43 H new ATOM 0 HG3 GLU A 8 7.007 -20.674 12.113 1.00 11.43 H new ATOM 119 N ARG A 9 2.786 -20.767 11.712 1.00 63.53 N ATOM 120 CA ARG A 9 2.046 -20.924 10.457 1.00 25.51 C ATOM 121 C ARG A 9 0.784 -20.073 10.398 1.00 71.20 C ATOM 122 O ARG A 9 -0.082 -20.343 9.563 1.00 4.04 O ATOM 123 CB ARG A 9 1.708 -22.381 10.158 1.00 22.35 C ATOM 124 CG ARG A 9 2.881 -23.347 10.062 1.00 13.24 C ATOM 125 CD ARG A 9 3.447 -23.821 11.410 1.00 54.30 C ATOM 126 NE ARG A 9 3.372 -25.289 11.526 1.00 31.31 N ATOM 127 CZ ARG A 9 4.165 -26.163 10.888 1.00 44.00 C ATOM 128 NH1 ARG A 9 5.341 -25.792 10.389 1.00 2.35 N ATOM 129 NH2 ARG A 9 3.776 -27.427 10.721 1.00 65.20 N ATOM 0 H ARG A 9 2.574 -21.464 12.426 1.00 63.53 H new ATOM 0 HA ARG A 9 2.724 -20.564 9.683 1.00 25.51 H new ATOM 0 HB2 ARG A 9 1.033 -22.741 10.935 1.00 22.35 H new ATOM 0 HB3 ARG A 9 1.159 -22.417 9.217 1.00 22.35 H new ATOM 0 HG2 ARG A 9 2.567 -24.220 9.490 1.00 13.24 H new ATOM 0 HG3 ARG A 9 3.681 -22.868 9.498 1.00 13.24 H new ATOM 0 HD2 ARG A 9 4.483 -23.497 11.508 1.00 54.30 H new ATOM 0 HD3 ARG A 9 2.890 -23.359 12.225 1.00 54.30 H new ATOM 0 HE ARG A 9 2.657 -25.672 12.144 1.00 31.31 H new ATOM 0 HH11 ARG A 9 5.655 -24.827 10.488 1.00 2.35 H new ATOM 0 HH12 ARG A 9 5.928 -26.473 9.907 1.00 2.35 H new ATOM 0 HH21 ARG A 9 2.872 -27.734 11.079 1.00 65.20 H new ATOM 0 HH22 ARG A 9 4.383 -28.087 10.235 1.00 65.20 H new ATOM 140 N ALA A 10 0.662 -19.073 11.261 1.00 14.24 N ATOM 141 CA ALA A 10 -0.428 -18.122 11.194 1.00 61.50 C ATOM 142 C ALA A 10 0.098 -16.721 10.882 1.00 62.14 C ATOM 143 O ALA A 10 -0.627 -15.945 10.266 1.00 53.10 O ATOM 144 CB ALA A 10 -1.263 -18.148 12.472 1.00 71.30 C ATOM 0 H ALA A 10 1.317 -18.903 12.024 1.00 14.24 H new ATOM 0 HA ALA A 10 -1.089 -18.414 10.378 1.00 61.50 H new ATOM 0 HB1 ALA A 10 -2.074 -17.424 12.392 1.00 71.30 H new ATOM 0 HB2 ALA A 10 -1.680 -19.145 12.614 1.00 71.30 H new ATOM 0 HB3 ALA A 10 -0.632 -17.894 13.324 1.00 71.30 H new ATOM 150 N HIS A 11 1.351 -16.399 11.247 1.00 52.43 N ATOM 151 CA HIS A 11 1.891 -15.048 11.074 1.00 62.14 C ATOM 152 C HIS A 11 3.319 -14.992 10.525 1.00 54.14 C ATOM 153 O HIS A 11 3.700 -13.985 9.940 1.00 5.41 O ATOM 154 CB HIS A 11 1.752 -14.255 12.382 1.00 30.13 C ATOM 155 CG HIS A 11 0.321 -14.017 12.819 1.00 1.45 C ATOM 156 ND1 HIS A 11 -0.470 -12.930 12.506 1.00 2.43 N ATOM 157 CD2 HIS A 11 -0.433 -14.860 13.591 1.00 64.21 C ATOM 158 CE1 HIS A 11 -1.677 -13.127 13.066 1.00 61.32 C ATOM 159 NE2 HIS A 11 -1.700 -14.289 13.737 1.00 13.45 N ATOM 0 H HIS A 11 2.006 -17.060 11.664 1.00 52.43 H new ATOM 0 HA HIS A 11 1.288 -14.578 10.297 1.00 62.14 H new ATOM 0 HB2 HIS A 11 2.277 -14.789 13.174 1.00 30.13 H new ATOM 0 HB3 HIS A 11 2.248 -13.292 12.263 1.00 30.13 H new ATOM 0 HD2 HIS A 11 -0.106 -15.799 14.012 1.00 64.21 H new ATOM 0 HE1 HIS A 11 -2.511 -12.445 12.987 1.00 61.32 H new ATOM 0 HE2 HIS A 11 -2.489 -14.679 14.253 1.00 13.45 H new ATOM 166 N GLU A 12 4.086 -16.073 10.604 1.00 5.32 N ATOM 167 CA GLU A 12 5.452 -16.145 10.074 1.00 61.14 C ATOM 168 C GLU A 12 5.537 -16.950 8.778 1.00 52.40 C ATOM 169 O GLU A 12 6.463 -16.727 7.999 1.00 73.41 O ATOM 170 CB GLU A 12 6.388 -16.792 11.096 1.00 65.32 C ATOM 171 CG GLU A 12 7.164 -15.775 11.922 1.00 62.20 C ATOM 172 CD GLU A 12 8.184 -16.484 12.803 1.00 41.12 C ATOM 173 OE1 GLU A 12 9.218 -16.938 12.248 1.00 31.43 O ATOM 174 OE2 GLU A 12 7.954 -16.578 14.027 1.00 70.24 O ATOM 0 H GLU A 12 3.776 -16.940 11.044 1.00 5.32 H new ATOM 0 HA GLU A 12 5.753 -15.118 9.867 1.00 61.14 H new ATOM 0 HB2 GLU A 12 5.805 -17.425 11.765 1.00 65.32 H new ATOM 0 HB3 GLU A 12 7.092 -17.441 10.575 1.00 65.32 H new ATOM 0 HG2 GLU A 12 7.670 -15.069 11.263 1.00 62.20 H new ATOM 0 HG3 GLU A 12 6.477 -15.197 12.540 1.00 62.20 H new ATOM 179 N ALA A 13 4.610 -17.883 8.545 1.00 71.13 N ATOM 180 CA ALA A 13 4.525 -18.587 7.271 1.00 73.14 C ATOM 181 C ALA A 13 3.444 -17.971 6.382 1.00 22.21 C ATOM 182 O ALA A 13 3.611 -17.916 5.165 1.00 34.11 O ATOM 183 CB ALA A 13 4.253 -20.078 7.511 1.00 70.41 C ATOM 0 H ALA A 13 3.907 -18.166 9.228 1.00 71.13 H new ATOM 0 HA ALA A 13 5.479 -18.488 6.753 1.00 73.14 H new ATOM 0 HB1 ALA A 13 4.191 -20.595 6.554 1.00 70.41 H new ATOM 0 HB2 ALA A 13 5.063 -20.505 8.103 1.00 70.41 H new ATOM 0 HB3 ALA A 13 3.311 -20.194 8.048 1.00 70.41 H new ATOM 189 N LYS A 14 2.324 -17.545 6.980 1.00 54.33 N ATOM 190 CA LYS A 14 1.098 -17.250 6.247 1.00 64.42 C ATOM 191 C LYS A 14 1.314 -16.216 5.151 1.00 10.12 C ATOM 192 O LYS A 14 0.898 -16.409 4.014 1.00 63.34 O ATOM 193 CB LYS A 14 0.016 -16.774 7.223 1.00 52.40 C ATOM 194 CG LYS A 14 -1.352 -16.763 6.527 1.00 63.50 C ATOM 195 CD LYS A 14 -2.539 -16.808 7.497 1.00 1.04 C ATOM 196 CE LYS A 14 -2.924 -18.239 7.896 1.00 73.14 C ATOM 197 NZ LYS A 14 -3.646 -18.941 6.810 1.00 32.15 N ATOM 0 H LYS A 14 2.248 -17.397 7.986 1.00 54.33 H new ATOM 0 HA LYS A 14 0.775 -18.169 5.758 1.00 64.42 H new ATOM 0 HB2 LYS A 14 -0.015 -17.430 8.093 1.00 52.40 H new ATOM 0 HB3 LYS A 14 0.256 -15.775 7.586 1.00 52.40 H new ATOM 0 HG2 LYS A 14 -1.430 -15.866 5.913 1.00 63.50 H new ATOM 0 HG3 LYS A 14 -1.413 -17.617 5.852 1.00 63.50 H new ATOM 0 HD2 LYS A 14 -2.292 -16.239 8.393 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -3.398 -16.320 7.036 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -2.025 -18.798 8.154 1.00 73.14 H new ATOM 0 HE3 LYS A 14 -3.549 -18.211 8.788 1.00 73.14 H new ATOM 0 HZ1 LYS A 14 -3.962 -19.872 7.149 1.00 32.15 H new ATOM 0 HZ2 LYS A 14 -4.472 -18.379 6.522 1.00 32.15 H new ATOM 0 HZ3 LYS A 14 -3.012 -19.066 5.995 1.00 32.15 H new ATOM 207 N PHE A 15 1.913 -15.087 5.514 1.00 11.11 N ATOM 208 CA PHE A 15 2.073 -13.970 4.608 1.00 14.41 C ATOM 209 C PHE A 15 3.201 -14.284 3.622 1.00 31.15 C ATOM 210 O PHE A 15 3.055 -14.033 2.423 1.00 10.03 O ATOM 211 CB PHE A 15 2.300 -12.696 5.436 1.00 31.13 C ATOM 212 CG PHE A 15 1.200 -12.418 6.444 1.00 44.41 C ATOM 213 CD1 PHE A 15 -0.073 -11.985 6.020 1.00 52.42 C ATOM 214 CD2 PHE A 15 1.442 -12.621 7.814 1.00 34.52 C ATOM 215 CE1 PHE A 15 -1.085 -11.741 6.969 1.00 3.45 C ATOM 216 CE2 PHE A 15 0.435 -12.372 8.758 1.00 72.23 C ATOM 217 CZ PHE A 15 -0.830 -11.935 8.338 1.00 22.52 C ATOM 0 H PHE A 15 2.299 -14.927 6.445 1.00 11.11 H new ATOM 0 HA PHE A 15 1.180 -13.800 4.007 1.00 14.41 H new ATOM 0 HB2 PHE A 15 3.250 -12.781 5.963 1.00 31.13 H new ATOM 0 HB3 PHE A 15 2.385 -11.845 4.760 1.00 31.13 H new ATOM 0 HD1 PHE A 15 -0.272 -11.840 4.968 1.00 52.42 H new ATOM 0 HD2 PHE A 15 2.410 -12.971 8.142 1.00 34.52 H new ATOM 0 HE1 PHE A 15 -2.058 -11.404 6.644 1.00 3.45 H new ATOM 0 HE2 PHE A 15 0.634 -12.517 9.810 1.00 72.23 H new ATOM 0 HZ PHE A 15 -1.607 -11.748 9.065 1.00 22.52 H new ATOM 226 N ALA A 16 4.281 -14.913 4.105 1.00 4.02 N ATOM 227 CA ALA A 16 5.421 -15.342 3.300 1.00 52.41 C ATOM 228 C ALA A 16 4.991 -16.200 2.106 1.00 14.02 C ATOM 229 O ALA A 16 5.543 -16.062 1.014 1.00 72.44 O ATOM 230 CB ALA A 16 6.393 -16.136 4.181 1.00 32.34 C ATOM 0 H ALA A 16 4.384 -15.141 5.094 1.00 4.02 H new ATOM 0 HA ALA A 16 5.908 -14.450 2.906 1.00 52.41 H new ATOM 0 HB1 ALA A 16 7.246 -16.458 3.583 1.00 32.34 H new ATOM 0 HB2 ALA A 16 6.741 -15.505 4.999 1.00 32.34 H new ATOM 0 HB3 ALA A 16 5.884 -17.010 4.588 1.00 32.34 H new ATOM 236 N HIS A 17 4.016 -17.090 2.311 1.00 65.53 N ATOM 237 CA HIS A 17 3.520 -18.028 1.310 1.00 24.23 C ATOM 238 C HIS A 17 2.482 -17.420 0.347 1.00 11.11 C ATOM 239 O HIS A 17 1.907 -18.163 -0.458 1.00 54.24 O ATOM 240 CB HIS A 17 3.028 -19.297 2.015 1.00 32.34 C ATOM 241 CG HIS A 17 4.161 -20.116 2.596 1.00 2.34 C ATOM 242 ND1 HIS A 17 5.311 -20.516 1.946 1.00 23.34 N ATOM 243 CD2 HIS A 17 4.236 -20.591 3.876 1.00 50.12 C ATOM 244 CE1 HIS A 17 6.047 -21.226 2.812 1.00 21.33 C ATOM 245 NE2 HIS A 17 5.448 -21.283 4.014 1.00 4.45 N ATOM 0 H HIS A 17 3.538 -17.177 3.208 1.00 65.53 H new ATOM 0 HA HIS A 17 4.347 -18.293 0.651 1.00 24.23 H new ATOM 0 HB2 HIS A 17 2.338 -19.021 2.812 1.00 32.34 H new ATOM 0 HB3 HIS A 17 2.469 -19.908 1.307 1.00 32.34 H new ATOM 0 HD2 HIS A 17 3.491 -20.457 4.647 1.00 50.12 H new ATOM 0 HE1 HIS A 17 6.993 -21.690 2.576 1.00 21.33 H new ATOM 0 HE2 HIS A 17 5.803 -21.737 4.856 1.00 4.45 H new ATOM 252 N ASP A 18 2.312 -16.092 0.348 1.00 21.50 N ATOM 253 CA ASP A 18 1.437 -15.301 -0.527 1.00 44.13 C ATOM 254 C ASP A 18 -0.051 -15.530 -0.202 1.00 11.21 C ATOM 255 O ASP A 18 -0.396 -16.059 0.859 1.00 14.05 O ATOM 256 CB ASP A 18 1.770 -15.450 -2.036 1.00 32.10 C ATOM 257 CG ASP A 18 3.023 -14.716 -2.516 1.00 42.55 C ATOM 258 OD1 ASP A 18 3.119 -13.486 -2.294 1.00 5.42 O ATOM 259 OD2 ASP A 18 3.824 -15.322 -3.264 1.00 33.32 O ATOM 0 H ASP A 18 2.818 -15.500 1.007 1.00 21.50 H new ATOM 0 HA ASP A 18 1.645 -14.254 -0.306 1.00 44.13 H new ATOM 0 HB2 ASP A 18 1.884 -16.510 -2.261 1.00 32.10 H new ATOM 0 HB3 ASP A 18 0.918 -15.092 -2.614 1.00 32.10 H new ATOM 263 N ALA A 19 -0.941 -15.034 -1.073 1.00 74.02 N ATOM 264 CA ALA A 19 -2.370 -14.818 -0.908 1.00 65.21 C ATOM 265 C ALA A 19 -2.642 -13.827 0.216 1.00 32.31 C ATOM 266 O ALA A 19 -2.864 -12.651 -0.059 1.00 54.33 O ATOM 267 CB ALA A 19 -3.144 -16.134 -0.799 1.00 3.55 C ATOM 0 H ALA A 19 -0.638 -14.747 -2.004 1.00 74.02 H new ATOM 0 HA ALA A 19 -2.758 -14.352 -1.814 1.00 65.21 H new ATOM 0 HB1 ALA A 19 -4.206 -15.922 -0.677 1.00 3.55 H new ATOM 0 HB2 ALA A 19 -2.993 -16.721 -1.705 1.00 3.55 H new ATOM 0 HB3 ALA A 19 -2.785 -16.697 0.063 1.00 3.55 H new ATOM 273 N GLU A 20 -2.561 -14.257 1.474 1.00 63.41 N ATOM 274 CA GLU A 20 -2.949 -13.467 2.648 1.00 33.45 C ATOM 275 C GLU A 20 -2.228 -12.107 2.651 1.00 61.11 C ATOM 276 O GLU A 20 -2.804 -11.068 2.998 1.00 21.13 O ATOM 277 CB GLU A 20 -2.614 -14.273 3.916 1.00 71.30 C ATOM 278 CG GLU A 20 -3.256 -13.704 5.198 1.00 3.04 C ATOM 279 CD GLU A 20 -4.608 -14.309 5.606 1.00 13.21 C ATOM 280 OE1 GLU A 20 -5.193 -15.134 4.872 1.00 23.52 O ATOM 281 OE2 GLU A 20 -5.041 -14.010 6.745 1.00 43.44 O ATOM 0 H GLU A 20 -2.216 -15.186 1.714 1.00 63.41 H new ATOM 0 HA GLU A 20 -4.020 -13.266 2.619 1.00 33.45 H new ATOM 0 HB2 GLU A 20 -2.945 -15.302 3.780 1.00 71.30 H new ATOM 0 HB3 GLU A 20 -1.532 -14.301 4.043 1.00 71.30 H new ATOM 0 HG2 GLU A 20 -2.556 -13.842 6.022 1.00 3.04 H new ATOM 0 HG3 GLU A 20 -3.387 -12.630 5.068 1.00 3.04 H new ATOM 286 N LEU A 21 -0.960 -12.105 2.223 1.00 12.22 N ATOM 287 CA LEU A 21 -0.142 -10.899 2.193 1.00 70.14 C ATOM 288 C LEU A 21 -0.471 -10.007 1.015 1.00 41.32 C ATOM 289 O LEU A 21 -0.329 -8.788 1.095 1.00 30.23 O ATOM 290 CB LEU A 21 1.327 -11.304 2.079 1.00 65.32 C ATOM 291 CG LEU A 21 2.330 -10.142 2.174 1.00 5.33 C ATOM 292 CD1 LEU A 21 2.035 -9.177 3.332 1.00 32.41 C ATOM 293 CD2 LEU A 21 3.731 -10.745 2.291 1.00 32.25 C ATOM 0 H LEU A 21 -0.478 -12.940 1.890 1.00 12.22 H new ATOM 0 HA LEU A 21 -0.343 -10.345 3.110 1.00 70.14 H new ATOM 0 HB2 LEU A 21 1.552 -12.024 2.866 1.00 65.32 H new ATOM 0 HB3 LEU A 21 1.475 -11.815 1.128 1.00 65.32 H new ATOM 0 HG LEU A 21 2.246 -9.532 1.275 1.00 5.33 H new ATOM 0 HD11 LEU A 21 2.780 -8.381 3.341 1.00 32.41 H new ATOM 0 HD12 LEU A 21 1.043 -8.744 3.201 1.00 32.41 H new ATOM 0 HD13 LEU A 21 2.072 -9.720 4.276 1.00 32.41 H new ATOM 0 HD21 LEU A 21 4.467 -9.944 2.360 1.00 32.25 H new ATOM 0 HD22 LEU A 21 3.786 -11.367 3.185 1.00 32.25 H new ATOM 0 HD23 LEU A 21 3.939 -11.354 1.412 1.00 32.25 H new ATOM 304 N ASN A 22 -0.875 -10.617 -0.096 1.00 72.11 N ATOM 305 CA ASN A 22 -1.125 -9.877 -1.324 1.00 54.42 C ATOM 306 C ASN A 22 -2.293 -8.922 -1.085 1.00 53.12 C ATOM 307 O ASN A 22 -2.266 -7.815 -1.620 1.00 74.35 O ATOM 308 CB ASN A 22 -1.326 -10.803 -2.538 1.00 73.02 C ATOM 309 CG ASN A 22 -0.010 -11.382 -3.052 1.00 50.12 C ATOM 310 OD1 ASN A 22 0.435 -11.097 -4.161 1.00 50.22 O ATOM 311 ND2 ASN A 22 0.691 -12.133 -2.219 1.00 45.55 N ATOM 0 H ASN A 22 -1.035 -11.622 -0.169 1.00 72.11 H new ATOM 0 HA ASN A 22 -0.245 -9.288 -1.582 1.00 54.42 H new ATOM 0 HB2 ASN A 22 -1.996 -11.618 -2.263 1.00 73.02 H new ATOM 0 HB3 ASN A 22 -1.813 -10.247 -3.339 1.00 73.02 H new ATOM 0 HD21 ASN A 22 1.609 -12.481 -2.495 1.00 45.55 H new ATOM 0 HD22 ASN A 22 0.313 -12.364 -1.300 1.00 45.55 H new ATOM 317 N PHE A 23 -3.223 -9.280 -0.194 1.00 2.34 N ATOM 318 CA PHE A 23 -4.269 -8.389 0.283 1.00 64.11 C ATOM 319 C PHE A 23 -3.653 -7.286 1.148 1.00 73.40 C ATOM 320 O PHE A 23 -3.642 -6.112 0.774 1.00 50.21 O ATOM 321 CB PHE A 23 -5.334 -9.192 1.053 1.00 42.41 C ATOM 322 CG PHE A 23 -6.698 -9.135 0.408 1.00 45.51 C ATOM 323 CD1 PHE A 23 -7.414 -7.921 0.400 1.00 22.43 C ATOM 324 CD2 PHE A 23 -7.253 -10.284 -0.184 1.00 10.22 C ATOM 325 CE1 PHE A 23 -8.687 -7.867 -0.187 1.00 3.41 C ATOM 326 CE2 PHE A 23 -8.532 -10.230 -0.757 1.00 42.50 C ATOM 327 CZ PHE A 23 -9.251 -9.024 -0.747 1.00 23.01 C ATOM 0 H PHE A 23 -3.265 -10.212 0.218 1.00 2.34 H new ATOM 0 HA PHE A 23 -4.763 -7.914 -0.564 1.00 64.11 H new ATOM 0 HB2 PHE A 23 -5.015 -10.232 1.124 1.00 42.41 H new ATOM 0 HB3 PHE A 23 -5.404 -8.809 2.071 1.00 42.41 H new ATOM 0 HD1 PHE A 23 -6.984 -7.035 0.844 1.00 22.43 H new ATOM 0 HD2 PHE A 23 -6.694 -11.208 -0.197 1.00 10.22 H new ATOM 0 HE1 PHE A 23 -9.233 -6.935 -0.208 1.00 3.41 H new ATOM 0 HE2 PHE A 23 -8.963 -11.114 -1.205 1.00 42.50 H new ATOM 0 HZ PHE A 23 -10.243 -8.986 -1.172 1.00 23.01 H new ATOM 336 N LYS A 24 -3.112 -7.655 2.321 1.00 44.10 N ATOM 337 CA LYS A 24 -2.711 -6.706 3.361 1.00 14.34 C ATOM 338 C LYS A 24 -1.767 -5.641 2.810 1.00 63.31 C ATOM 339 O LYS A 24 -1.946 -4.452 3.066 1.00 51.50 O ATOM 340 CB LYS A 24 -2.064 -7.471 4.531 1.00 42.10 C ATOM 341 CG LYS A 24 -3.042 -8.420 5.246 1.00 33.31 C ATOM 342 CD LYS A 24 -3.346 -8.019 6.696 1.00 14.13 C ATOM 343 CE LYS A 24 -2.187 -8.351 7.643 1.00 45.03 C ATOM 344 NZ LYS A 24 -2.662 -8.840 8.957 1.00 1.24 N ATOM 0 H LYS A 24 -2.941 -8.629 2.571 1.00 44.10 H new ATOM 0 HA LYS A 24 -3.599 -6.187 3.723 1.00 14.34 H new ATOM 0 HB2 LYS A 24 -1.217 -8.046 4.157 1.00 42.10 H new ATOM 0 HB3 LYS A 24 -1.670 -6.755 5.252 1.00 42.10 H new ATOM 0 HG2 LYS A 24 -3.976 -8.454 4.685 1.00 33.31 H new ATOM 0 HG3 LYS A 24 -2.628 -9.428 5.237 1.00 33.31 H new ATOM 0 HD2 LYS A 24 -3.554 -6.950 6.740 1.00 14.13 H new ATOM 0 HD3 LYS A 24 -4.247 -8.533 7.032 1.00 14.13 H new ATOM 0 HE2 LYS A 24 -1.550 -9.107 7.184 1.00 45.03 H new ATOM 0 HE3 LYS A 24 -1.573 -7.462 7.788 1.00 45.03 H new ATOM 0 HZ1 LYS A 24 -1.845 -9.052 9.565 1.00 1.24 H new ATOM 0 HZ2 LYS A 24 -3.249 -8.109 9.408 1.00 1.24 H new ATOM 0 HZ3 LYS A 24 -3.227 -9.703 8.823 1.00 1.24 H new ATOM 354 N ALA A 25 -0.773 -6.061 2.027 1.00 31.13 N ATOM 355 CA ALA A 25 0.248 -5.177 1.501 1.00 31.11 C ATOM 356 C ALA A 25 -0.325 -4.131 0.529 1.00 2.11 C ATOM 357 O ALA A 25 0.226 -3.032 0.455 1.00 30.25 O ATOM 358 CB ALA A 25 1.346 -6.039 0.867 1.00 45.14 C ATOM 0 H ALA A 25 -0.660 -7.034 1.742 1.00 31.13 H new ATOM 0 HA ALA A 25 0.677 -4.591 2.313 1.00 31.11 H new ATOM 0 HB1 ALA A 25 2.127 -5.395 0.463 1.00 45.14 H new ATOM 0 HB2 ALA A 25 1.774 -6.698 1.623 1.00 45.14 H new ATOM 0 HB3 ALA A 25 0.919 -6.639 0.063 1.00 45.14 H new ATOM 364 N GLU A 26 -1.415 -4.405 -0.205 1.00 71.22 N ATOM 365 CA GLU A 26 -2.059 -3.382 -1.039 1.00 4.31 C ATOM 366 C GLU A 26 -2.655 -2.287 -0.157 1.00 45.31 C ATOM 367 O GLU A 26 -2.370 -1.099 -0.352 1.00 14.44 O ATOM 368 CB GLU A 26 -3.121 -3.951 -1.994 1.00 42.41 C ATOM 369 CG GLU A 26 -2.468 -4.703 -3.162 1.00 25.20 C ATOM 370 CD GLU A 26 -3.284 -4.699 -4.461 1.00 64.43 C ATOM 371 OE1 GLU A 26 -4.519 -4.502 -4.455 1.00 25.30 O ATOM 372 OE2 GLU A 26 -2.602 -4.808 -5.512 1.00 2.33 O ATOM 0 H GLU A 26 -1.865 -5.320 -0.237 1.00 71.22 H new ATOM 0 HA GLU A 26 -1.281 -2.959 -1.674 1.00 4.31 H new ATOM 0 HB2 GLU A 26 -3.782 -4.624 -1.448 1.00 42.41 H new ATOM 0 HB3 GLU A 26 -3.739 -3.140 -2.380 1.00 42.41 H new ATOM 0 HG2 GLU A 26 -1.492 -4.261 -3.361 1.00 25.20 H new ATOM 0 HG3 GLU A 26 -2.295 -5.736 -2.860 1.00 25.20 H new ATOM 377 N ALA A 27 -3.393 -2.686 0.879 1.00 51.32 N ATOM 378 CA ALA A 27 -4.016 -1.784 1.843 1.00 32.31 C ATOM 379 C ALA A 27 -3.005 -1.060 2.754 1.00 45.21 C ATOM 380 O ALA A 27 -3.394 -0.410 3.734 1.00 64.32 O ATOM 381 CB ALA A 27 -5.049 -2.558 2.660 1.00 75.04 C ATOM 0 H ALA A 27 -3.578 -3.670 1.074 1.00 51.32 H new ATOM 0 HA ALA A 27 -4.508 -0.991 1.280 1.00 32.31 H new ATOM 0 HB1 ALA A 27 -5.518 -1.889 3.382 1.00 75.04 H new ATOM 0 HB2 ALA A 27 -5.810 -2.963 1.994 1.00 75.04 H new ATOM 0 HB3 ALA A 27 -4.557 -3.375 3.188 1.00 75.04 H new ATOM 387 N ARG A 28 -1.704 -1.138 2.459 1.00 1.34 N ATOM 388 CA ARG A 28 -0.658 -0.353 3.109 1.00 64.04 C ATOM 389 C ARG A 28 0.163 0.429 2.088 1.00 4.55 C ATOM 390 O ARG A 28 0.342 1.633 2.283 1.00 31.23 O ATOM 391 CB ARG A 28 0.148 -1.265 4.036 1.00 21.41 C ATOM 392 CG ARG A 28 1.341 -0.590 4.729 1.00 4.55 C ATOM 393 CD ARG A 28 1.017 0.706 5.471 1.00 72.41 C ATOM 394 NE ARG A 28 2.184 1.158 6.242 1.00 1.34 N ATOM 395 CZ ARG A 28 2.150 1.906 7.350 1.00 42.13 C ATOM 396 NH1 ARG A 28 1.003 2.110 7.987 1.00 54.30 N ATOM 397 NH2 ARG A 28 3.259 2.471 7.803 1.00 11.44 N ATOM 0 H ARG A 28 -1.343 -1.767 1.742 1.00 1.34 H new ATOM 0 HA ARG A 28 -1.092 0.421 3.742 1.00 64.04 H new ATOM 0 HB2 ARG A 28 -0.519 -1.664 4.800 1.00 21.41 H new ATOM 0 HB3 ARG A 28 0.514 -2.114 3.458 1.00 21.41 H new ATOM 0 HG2 ARG A 28 1.776 -1.296 5.437 1.00 4.55 H new ATOM 0 HG3 ARG A 28 2.104 -0.379 3.980 1.00 4.55 H new ATOM 0 HD2 ARG A 28 0.722 1.477 4.759 1.00 72.41 H new ATOM 0 HD3 ARG A 28 0.170 0.549 6.139 1.00 72.41 H new ATOM 0 HE ARG A 28 3.103 0.876 5.901 1.00 1.34 H new ATOM 0 HH11 ARG A 28 0.142 1.695 7.632 1.00 54.30 H new ATOM 0 HH12 ARG A 28 0.983 2.681 8.832 1.00 54.30 H new ATOM 0 HH21 ARG A 28 4.140 2.336 7.307 1.00 11.44 H new ATOM 0 HH22 ARG A 28 3.232 3.041 8.648 1.00 11.44 H new ATOM 408 N ARG A 29 0.607 -0.169 0.970 1.00 33.13 N ATOM 409 CA ARG A 29 1.327 0.587 -0.074 1.00 54.54 C ATOM 410 C ARG A 29 0.530 1.790 -0.570 1.00 51.23 C ATOM 411 O ARG A 29 1.127 2.792 -0.947 1.00 23.03 O ATOM 412 CB ARG A 29 1.798 -0.309 -1.246 1.00 12.13 C ATOM 413 CG ARG A 29 0.720 -1.118 -1.999 1.00 22.00 C ATOM 414 CD ARG A 29 0.273 -0.615 -3.388 1.00 31.34 C ATOM 415 NE ARG A 29 -1.113 -0.106 -3.381 1.00 61.44 N ATOM 416 CZ ARG A 29 -2.220 -0.658 -3.905 1.00 25.00 C ATOM 417 NH1 ARG A 29 -2.158 -1.732 -4.679 1.00 34.11 N ATOM 418 NH2 ARG A 29 -3.420 -0.138 -3.678 1.00 2.40 N ATOM 0 H ARG A 29 0.483 -1.161 0.765 1.00 33.13 H new ATOM 0 HA ARG A 29 2.227 0.973 0.404 1.00 54.54 H new ATOM 0 HB2 ARG A 29 2.310 0.325 -1.970 1.00 12.13 H new ATOM 0 HB3 ARG A 29 2.536 -1.011 -0.858 1.00 12.13 H new ATOM 0 HG2 ARG A 29 1.089 -2.137 -2.116 1.00 22.00 H new ATOM 0 HG3 ARG A 29 -0.163 -1.170 -1.363 1.00 22.00 H new ATOM 0 HD2 ARG A 29 0.946 0.176 -3.719 1.00 31.34 H new ATOM 0 HD3 ARG A 29 0.356 -1.427 -4.110 1.00 31.34 H new ATOM 0 HE ARG A 29 -1.249 0.790 -2.913 1.00 61.44 H new ATOM 0 HH11 ARG A 29 -1.255 -2.158 -4.889 1.00 34.11 H new ATOM 0 HH12 ARG A 29 -3.013 -2.133 -5.065 1.00 34.11 H new ATOM 0 HH21 ARG A 29 -3.513 0.695 -3.097 1.00 2.40 H new ATOM 0 HH22 ARG A 29 -4.249 -0.571 -4.085 1.00 2.40 H new ATOM 429 N ASN A 30 -0.798 1.723 -0.521 1.00 74.03 N ATOM 430 CA ASN A 30 -1.696 2.839 -0.785 1.00 41.44 C ATOM 431 C ASN A 30 -1.335 4.113 -0.004 1.00 14.21 C ATOM 432 O ASN A 30 -1.119 5.157 -0.618 1.00 44.51 O ATOM 433 CB ASN A 30 -3.148 2.367 -0.541 1.00 10.35 C ATOM 434 CG ASN A 30 -3.502 1.898 0.872 1.00 23.25 C ATOM 435 OD1 ASN A 30 -2.687 1.840 1.789 1.00 25.04 O ATOM 436 ND2 ASN A 30 -4.735 1.501 1.066 1.00 15.11 N ATOM 0 H ASN A 30 -1.293 0.862 -0.289 1.00 74.03 H new ATOM 0 HA ASN A 30 -1.588 3.138 -1.828 1.00 41.44 H new ATOM 0 HB2 ASN A 30 -3.818 3.186 -0.803 1.00 10.35 H new ATOM 0 HB3 ASN A 30 -3.358 1.550 -1.231 1.00 10.35 H new ATOM 0 HD21 ASN A 30 -5.018 1.144 1.978 1.00 15.11 H new ATOM 0 HD22 ASN A 30 -5.412 1.549 0.305 1.00 15.11 H new ATOM 442 N ARG A 31 -1.232 4.051 1.325 1.00 50.42 N ATOM 443 CA ARG A 31 -0.934 5.180 2.204 1.00 53.21 C ATOM 444 C ARG A 31 0.491 5.651 1.980 1.00 51.12 C ATOM 445 O ARG A 31 0.697 6.848 1.814 1.00 23.05 O ATOM 446 CB ARG A 31 -1.191 4.766 3.661 1.00 20.34 C ATOM 447 CG ARG A 31 -0.758 5.808 4.704 1.00 41.30 C ATOM 448 CD ARG A 31 -1.390 5.498 6.075 1.00 0.13 C ATOM 449 NE ARG A 31 -0.460 5.641 7.208 1.00 53.53 N ATOM 450 CZ ARG A 31 0.205 6.739 7.591 1.00 43.44 C ATOM 451 NH1 ARG A 31 0.005 7.899 6.966 1.00 15.14 N ATOM 452 NH2 ARG A 31 1.064 6.660 8.600 1.00 51.13 N ATOM 0 H ARG A 31 -1.359 3.178 1.837 1.00 50.42 H new ATOM 0 HA ARG A 31 -1.587 6.022 1.975 1.00 53.21 H new ATOM 0 HB2 ARG A 31 -2.255 4.565 3.786 1.00 20.34 H new ATOM 0 HB3 ARG A 31 -0.665 3.832 3.859 1.00 20.34 H new ATOM 0 HG2 ARG A 31 0.328 5.813 4.791 1.00 41.30 H new ATOM 0 HG3 ARG A 31 -1.057 6.804 4.377 1.00 41.30 H new ATOM 0 HD2 ARG A 31 -2.241 6.162 6.230 1.00 0.13 H new ATOM 0 HD3 ARG A 31 -1.778 4.480 6.063 1.00 0.13 H new ATOM 0 HE ARG A 31 -0.303 4.803 7.768 1.00 53.53 H new ATOM 0 HH11 ARG A 31 -0.657 7.954 6.192 1.00 15.14 H new ATOM 0 HH12 ARG A 31 0.514 8.732 7.262 1.00 15.14 H new ATOM 0 HH21 ARG A 31 1.212 5.770 9.075 1.00 51.13 H new ATOM 0 HH22 ARG A 31 1.576 7.490 8.900 1.00 51.13 H new ATOM 463 N LEU A 32 1.442 4.713 1.895 1.00 14.31 N ATOM 464 CA LEU A 32 2.858 4.997 1.641 1.00 11.15 C ATOM 465 C LEU A 32 3.066 5.780 0.340 1.00 45.14 C ATOM 466 O LEU A 32 4.100 6.417 0.158 1.00 61.45 O ATOM 467 CB LEU A 32 3.669 3.694 1.523 1.00 64.32 C ATOM 468 CG LEU A 32 3.612 2.696 2.689 1.00 42.30 C ATOM 469 CD1 LEU A 32 4.312 1.381 2.319 1.00 30.23 C ATOM 470 CD2 LEU A 32 4.247 3.265 3.950 1.00 61.14 C ATOM 0 H LEU A 32 1.245 3.718 2.003 1.00 14.31 H new ATOM 0 HA LEU A 32 3.199 5.593 2.488 1.00 11.15 H new ATOM 0 HB2 LEU A 32 3.337 3.175 0.624 1.00 64.32 H new ATOM 0 HB3 LEU A 32 4.713 3.965 1.367 1.00 64.32 H new ATOM 0 HG LEU A 32 2.558 2.503 2.888 1.00 42.30 H new ATOM 0 HD11 LEU A 32 4.258 0.691 3.161 1.00 30.23 H new ATOM 0 HD12 LEU A 32 3.819 0.937 1.454 1.00 30.23 H new ATOM 0 HD13 LEU A 32 5.357 1.580 2.079 1.00 30.23 H new ATOM 0 HD21 LEU A 32 4.187 2.529 4.752 1.00 61.14 H new ATOM 0 HD22 LEU A 32 5.292 3.504 3.755 1.00 61.14 H new ATOM 0 HD23 LEU A 32 3.717 4.170 4.248 1.00 61.14 H new ATOM 481 N LEU A 33 2.109 5.702 -0.587 1.00 21.43 N ATOM 482 CA LEU A 33 2.144 6.374 -1.878 1.00 34.42 C ATOM 483 C LEU A 33 1.307 7.653 -1.871 1.00 2.12 C ATOM 484 O LEU A 33 1.592 8.592 -2.606 1.00 1.22 O ATOM 485 CB LEU A 33 1.592 5.377 -2.899 1.00 5.43 C ATOM 486 CG LEU A 33 1.981 5.691 -4.344 1.00 11.54 C ATOM 487 CD1 LEU A 33 3.444 5.333 -4.587 1.00 73.25 C ATOM 488 CD2 LEU A 33 1.176 4.791 -5.263 1.00 63.31 C ATOM 0 H LEU A 33 1.262 5.150 -0.451 1.00 21.43 H new ATOM 0 HA LEU A 33 3.162 6.676 -2.123 1.00 34.42 H new ATOM 0 HB2 LEU A 33 1.948 4.378 -2.646 1.00 5.43 H new ATOM 0 HB3 LEU A 33 0.505 5.357 -2.822 1.00 5.43 H new ATOM 0 HG LEU A 33 1.803 6.750 -4.529 1.00 11.54 H new ATOM 0 HD11 LEU A 33 3.708 5.562 -5.620 1.00 73.25 H new ATOM 0 HD12 LEU A 33 4.077 5.912 -3.914 1.00 73.25 H new ATOM 0 HD13 LEU A 33 3.594 4.270 -4.401 1.00 73.25 H new ATOM 0 HD21 LEU A 33 1.440 5.000 -6.300 1.00 63.31 H new ATOM 0 HD22 LEU A 33 1.397 3.748 -5.036 1.00 63.31 H new ATOM 0 HD23 LEU A 33 0.112 4.977 -5.115 1.00 63.31 H new ATOM 499 N GLY A 34 0.281 7.700 -1.023 1.00 10.40 N ATOM 500 CA GLY A 34 -0.589 8.857 -0.879 1.00 53.14 C ATOM 501 C GLY A 34 0.167 10.025 -0.263 1.00 71.15 C ATOM 502 O GLY A 34 0.010 11.151 -0.711 1.00 21.24 O ATOM 0 H GLY A 34 0.031 6.924 -0.411 1.00 10.40 H new ATOM 0 HA2 GLY A 34 -0.983 9.146 -1.854 1.00 53.14 H new ATOM 0 HA3 GLY A 34 -1.444 8.600 -0.253 1.00 53.14 H new ATOM 506 N GLU A 35 1.001 9.765 0.741 1.00 21.05 N ATOM 507 CA GLU A 35 1.896 10.759 1.335 1.00 21.25 C ATOM 508 C GLU A 35 2.837 11.371 0.296 1.00 4.13 C ATOM 509 O GLU A 35 2.862 12.595 0.162 1.00 72.25 O ATOM 510 CB GLU A 35 2.617 10.186 2.570 1.00 31.22 C ATOM 511 CG GLU A 35 3.150 8.749 2.416 1.00 44.31 C ATOM 512 CD GLU A 35 4.663 8.639 2.526 1.00 23.45 C ATOM 513 OE1 GLU A 35 5.378 9.115 1.620 1.00 23.03 O ATOM 514 OE2 GLU A 35 5.123 8.025 3.513 1.00 53.53 O ATOM 0 H GLU A 35 1.076 8.844 1.173 1.00 21.05 H new ATOM 0 HA GLU A 35 1.293 11.591 1.698 1.00 21.25 H new ATOM 0 HB2 GLU A 35 3.452 10.841 2.818 1.00 31.22 H new ATOM 0 HB3 GLU A 35 1.930 10.212 3.416 1.00 31.22 H new ATOM 0 HG2 GLU A 35 2.693 8.119 3.179 1.00 44.31 H new ATOM 0 HG3 GLU A 35 2.836 8.357 1.449 1.00 44.31 H new ATOM 519 N TRP A 36 3.532 10.539 -0.480 1.00 53.12 N ATOM 520 CA TRP A 36 4.361 10.963 -1.608 1.00 34.34 C ATOM 521 C TRP A 36 3.566 11.886 -2.535 1.00 3.22 C ATOM 522 O TRP A 36 3.954 13.028 -2.771 1.00 34.32 O ATOM 523 CB TRP A 36 4.882 9.733 -2.371 1.00 33.41 C ATOM 524 CG TRP A 36 5.465 10.039 -3.717 1.00 64.24 C ATOM 525 CD1 TRP A 36 6.565 10.792 -3.946 1.00 64.23 C ATOM 526 CD2 TRP A 36 4.920 9.724 -5.035 1.00 61.02 C ATOM 527 NE1 TRP A 36 6.756 10.941 -5.303 1.00 1.10 N ATOM 528 CE2 TRP A 36 5.772 10.301 -6.019 1.00 64.35 C ATOM 529 CE3 TRP A 36 3.771 9.047 -5.503 1.00 72.23 C ATOM 530 CZ2 TRP A 36 5.518 10.181 -7.389 1.00 10.53 C ATOM 531 CZ3 TRP A 36 3.487 8.947 -6.879 1.00 25.11 C ATOM 532 CH2 TRP A 36 4.364 9.517 -7.821 1.00 44.43 C ATOM 0 H TRP A 36 3.534 9.529 -0.338 1.00 53.12 H new ATOM 0 HA TRP A 36 5.218 11.521 -1.229 1.00 34.34 H new ATOM 0 HB2 TRP A 36 5.641 9.239 -1.764 1.00 33.41 H new ATOM 0 HB3 TRP A 36 4.063 9.025 -2.496 1.00 33.41 H new ATOM 0 HD1 TRP A 36 7.199 11.214 -3.180 1.00 64.23 H new ATOM 0 HE1 TRP A 36 7.528 11.459 -5.722 1.00 1.10 H new ATOM 0 HE3 TRP A 36 3.096 8.597 -4.790 1.00 72.23 H new ATOM 0 HZ2 TRP A 36 6.207 10.598 -8.108 1.00 10.53 H new ATOM 0 HZ3 TRP A 36 2.597 8.433 -7.211 1.00 25.11 H new ATOM 0 HH2 TRP A 36 4.147 9.442 -8.876 1.00 44.43 H new ATOM 542 N ALA A 37 2.422 11.416 -3.039 1.00 62.43 N ATOM 543 CA ALA A 37 1.620 12.174 -3.987 1.00 61.22 C ATOM 544 C ALA A 37 1.077 13.470 -3.371 1.00 41.41 C ATOM 545 O ALA A 37 1.054 14.485 -4.055 1.00 4.13 O ATOM 546 CB ALA A 37 0.501 11.279 -4.517 1.00 50.25 C ATOM 0 H ALA A 37 2.032 10.504 -2.800 1.00 62.43 H new ATOM 0 HA ALA A 37 2.251 12.483 -4.820 1.00 61.22 H new ATOM 0 HB1 ALA A 37 -0.106 11.838 -5.229 1.00 50.25 H new ATOM 0 HB2 ALA A 37 0.934 10.410 -5.013 1.00 50.25 H new ATOM 0 HB3 ALA A 37 -0.124 10.949 -3.688 1.00 50.25 H new ATOM 552 N ALA A 38 0.698 13.512 -2.089 1.00 21.40 N ATOM 553 CA ALA A 38 0.332 14.760 -1.410 1.00 74.03 C ATOM 554 C ALA A 38 1.490 15.768 -1.456 1.00 2.24 C ATOM 555 O ALA A 38 1.282 16.985 -1.565 1.00 55.54 O ATOM 556 CB ALA A 38 -0.041 14.464 0.043 1.00 32.33 C ATOM 0 H ALA A 38 0.636 12.685 -1.495 1.00 21.40 H new ATOM 0 HA ALA A 38 -0.523 15.197 -1.925 1.00 74.03 H new ATOM 0 HB1 ALA A 38 -0.312 15.392 0.545 1.00 32.33 H new ATOM 0 HB2 ALA A 38 -0.887 13.777 0.069 1.00 32.33 H new ATOM 0 HB3 ALA A 38 0.810 14.011 0.552 1.00 32.33 H new ATOM 562 N GLY A 39 2.717 15.250 -1.416 1.00 42.33 N ATOM 563 CA GLY A 39 3.969 15.947 -1.634 1.00 25.42 C ATOM 564 C GLY A 39 4.142 16.527 -3.040 1.00 43.12 C ATOM 565 O GLY A 39 5.031 17.354 -3.239 1.00 44.31 O ATOM 0 H GLY A 39 2.865 14.261 -1.215 1.00 42.33 H new ATOM 0 HA2 GLY A 39 4.049 16.757 -0.909 1.00 25.42 H new ATOM 0 HA3 GLY A 39 4.791 15.259 -1.436 1.00 25.42 H new ATOM 569 N LEU A 40 3.326 16.125 -4.016 1.00 41.14 N ATOM 570 CA LEU A 40 3.414 16.519 -5.421 1.00 34.33 C ATOM 571 C LEU A 40 2.217 17.363 -5.844 1.00 33.04 C ATOM 572 O LEU A 40 2.397 18.369 -6.524 1.00 61.04 O ATOM 573 CB LEU A 40 3.478 15.262 -6.304 1.00 4.30 C ATOM 574 CG LEU A 40 4.789 14.468 -6.222 1.00 14.14 C ATOM 575 CD1 LEU A 40 4.708 13.334 -7.241 1.00 10.41 C ATOM 576 CD2 LEU A 40 6.021 15.311 -6.549 1.00 23.23 C ATOM 0 H LEU A 40 2.550 15.487 -3.839 1.00 41.14 H new ATOM 0 HA LEU A 40 4.316 17.118 -5.544 1.00 34.33 H new ATOM 0 HB2 LEU A 40 2.655 14.602 -6.028 1.00 4.30 H new ATOM 0 HB3 LEU A 40 3.316 15.558 -7.341 1.00 4.30 H new ATOM 0 HG LEU A 40 4.900 14.111 -5.198 1.00 14.14 H new ATOM 0 HD11 LEU A 40 5.627 12.749 -7.208 1.00 10.41 H new ATOM 0 HD12 LEU A 40 3.860 12.692 -7.004 1.00 10.41 H new ATOM 0 HD13 LEU A 40 4.579 13.751 -8.240 1.00 10.41 H new ATOM 0 HD21 LEU A 40 6.915 14.693 -6.474 1.00 23.23 H new ATOM 0 HD22 LEU A 40 5.935 15.703 -7.562 1.00 23.23 H new ATOM 0 HD23 LEU A 40 6.092 16.140 -5.844 1.00 23.23 H new ATOM 587 N LEU A 41 1.007 16.980 -5.425 1.00 73.35 N ATOM 588 CA LEU A 41 -0.257 17.640 -5.766 1.00 40.33 C ATOM 589 C LEU A 41 -0.237 19.122 -5.417 1.00 43.25 C ATOM 590 O LEU A 41 -0.918 19.919 -6.057 1.00 11.40 O ATOM 591 CB LEU A 41 -1.415 17.011 -4.968 1.00 33.20 C ATOM 592 CG LEU A 41 -2.225 15.902 -5.643 1.00 41.34 C ATOM 593 CD1 LEU A 41 -2.756 16.267 -7.029 1.00 21.13 C ATOM 594 CD2 LEU A 41 -1.499 14.574 -5.634 1.00 71.22 C ATOM 0 H LEU A 41 0.876 16.172 -4.817 1.00 73.35 H new ATOM 0 HA LEU A 41 -0.393 17.514 -6.840 1.00 40.33 H new ATOM 0 HB2 LEU A 41 -1.004 16.610 -4.041 1.00 33.20 H new ATOM 0 HB3 LEU A 41 -2.104 17.809 -4.692 1.00 33.20 H new ATOM 0 HG LEU A 41 -3.115 15.786 -5.025 1.00 41.34 H new ATOM 0 HD11 LEU A 41 -3.318 15.427 -7.436 1.00 21.13 H new ATOM 0 HD12 LEU A 41 -3.409 17.136 -6.951 1.00 21.13 H new ATOM 0 HD13 LEU A 41 -1.920 16.499 -7.689 1.00 21.13 H new ATOM 0 HD21 LEU A 41 -2.114 13.820 -6.124 1.00 71.22 H new ATOM 0 HD22 LEU A 41 -0.553 14.673 -6.167 1.00 71.22 H new ATOM 0 HD23 LEU A 41 -1.306 14.272 -4.605 1.00 71.22 H new ATOM 605 N GLY A 42 0.470 19.454 -4.341 1.00 64.34 N ATOM 606 CA GLY A 42 0.593 20.811 -3.826 1.00 32.33 C ATOM 607 C GLY A 42 -0.239 21.025 -2.576 1.00 71.13 C ATOM 608 O GLY A 42 -0.720 22.133 -2.328 1.00 73.02 O ATOM 0 H GLY A 42 0.986 18.768 -3.790 1.00 64.34 H new ATOM 0 HA2 GLY A 42 1.639 21.021 -3.605 1.00 32.33 H new ATOM 0 HA3 GLY A 42 0.282 21.519 -4.594 1.00 32.33 H new ATOM 612 N LYS A 43 -0.443 19.961 -1.796 1.00 41.44 N ATOM 613 CA LYS A 43 -1.092 20.083 -0.504 1.00 53.11 C ATOM 614 C LYS A 43 -0.083 20.588 0.520 1.00 3.22 C ATOM 615 O LYS A 43 1.124 20.443 0.324 1.00 3.13 O ATOM 616 CB LYS A 43 -1.644 18.726 -0.047 1.00 32.45 C ATOM 617 CG LYS A 43 -2.464 17.929 -1.067 1.00 22.23 C ATOM 618 CD LYS A 43 -3.579 18.725 -1.750 1.00 23.13 C ATOM 619 CE LYS A 43 -4.390 17.794 -2.655 1.00 54.15 C ATOM 620 NZ LYS A 43 -5.249 18.546 -3.585 1.00 22.44 N ATOM 0 H LYS A 43 -0.166 19.011 -2.042 1.00 41.44 H new ATOM 0 HA LYS A 43 -1.920 20.786 -0.592 1.00 53.11 H new ATOM 0 HB2 LYS A 43 -0.804 18.108 0.269 1.00 32.45 H new ATOM 0 HB3 LYS A 43 -2.266 18.892 0.832 1.00 32.45 H new ATOM 0 HG2 LYS A 43 -1.791 17.542 -1.832 1.00 22.23 H new ATOM 0 HG3 LYS A 43 -2.905 17.068 -0.565 1.00 22.23 H new ATOM 0 HD2 LYS A 43 -4.228 19.178 -1.001 1.00 23.13 H new ATOM 0 HD3 LYS A 43 -3.153 19.539 -2.336 1.00 23.13 H new ATOM 0 HE2 LYS A 43 -3.711 17.157 -3.222 1.00 54.15 H new ATOM 0 HE3 LYS A 43 -5.007 17.137 -2.041 1.00 54.15 H new ATOM 0 HZ1 LYS A 43 -5.782 17.880 -4.181 1.00 22.44 H new ATOM 0 HZ2 LYS A 43 -5.914 19.135 -3.044 1.00 22.44 H new ATOM 0 HZ3 LYS A 43 -4.659 19.154 -4.188 1.00 22.44 H new ATOM 630 N THR A 44 -0.558 21.076 1.655 1.00 44.44 N ATOM 631 CA THR A 44 0.246 21.384 2.831 1.00 20.45 C ATOM 632 C THR A 44 -0.623 21.141 4.061 1.00 53.24 C ATOM 633 O THR A 44 -1.843 21.324 3.986 1.00 32.03 O ATOM 634 CB THR A 44 0.704 22.856 2.795 1.00 31.13 C ATOM 635 OG1 THR A 44 -0.394 23.705 2.521 1.00 2.25 O ATOM 636 CG2 THR A 44 1.779 23.151 1.750 1.00 35.35 C ATOM 0 H THR A 44 -1.549 21.276 1.789 1.00 44.44 H new ATOM 0 HA THR A 44 1.135 20.754 2.857 1.00 20.45 H new ATOM 0 HB THR A 44 1.130 23.042 3.781 1.00 31.13 H new ATOM 0 HG1 THR A 44 -0.091 24.637 2.503 1.00 2.25 H new ATOM 0 HG21 THR A 44 2.045 24.207 1.790 1.00 35.35 H new ATOM 0 HG22 THR A 44 2.662 22.546 1.956 1.00 35.35 H new ATOM 0 HG23 THR A 44 1.398 22.910 0.758 1.00 35.35 H new ATOM 644 N GLY A 45 -0.023 20.814 5.205 1.00 64.11 N ATOM 645 CA GLY A 45 -0.746 20.711 6.459 1.00 2.31 C ATOM 646 C GLY A 45 -1.766 19.592 6.344 1.00 41.31 C ATOM 647 O GLY A 45 -1.477 18.544 5.765 1.00 33.31 O ATOM 0 H GLY A 45 0.974 20.615 5.282 1.00 64.11 H new ATOM 0 HA2 GLY A 45 -0.055 20.510 7.278 1.00 2.31 H new ATOM 0 HA3 GLY A 45 -1.244 21.654 6.686 1.00 2.31 H new ATOM 651 N ASP A 46 -2.955 19.795 6.899 1.00 15.32 N ATOM 652 CA ASP A 46 -3.919 18.714 7.021 1.00 13.22 C ATOM 653 C ASP A 46 -4.489 18.291 5.668 1.00 72.44 C ATOM 654 O ASP A 46 -4.846 17.128 5.519 1.00 21.35 O ATOM 655 CB ASP A 46 -5.020 19.054 8.033 1.00 54.11 C ATOM 656 CG ASP A 46 -4.553 18.795 9.467 1.00 62.33 C ATOM 657 OD1 ASP A 46 -3.841 19.654 10.043 1.00 61.34 O ATOM 658 OD2 ASP A 46 -4.836 17.700 10.011 1.00 54.13 O ATOM 0 H ASP A 46 -3.271 20.692 7.268 1.00 15.32 H new ATOM 0 HA ASP A 46 -3.382 17.849 7.410 1.00 13.22 H new ATOM 0 HB2 ASP A 46 -5.307 20.100 7.925 1.00 54.11 H new ATOM 0 HB3 ASP A 46 -5.907 18.457 7.823 1.00 54.11 H new ATOM 662 N ASP A 47 -4.468 19.142 4.636 1.00 62.44 N ATOM 663 CA ASP A 47 -4.823 18.737 3.272 1.00 20.12 C ATOM 664 C ASP A 47 -3.871 17.640 2.786 1.00 72.32 C ATOM 665 O ASP A 47 -4.270 16.723 2.067 1.00 60.43 O ATOM 666 CB ASP A 47 -4.757 19.936 2.304 1.00 0.13 C ATOM 667 CG ASP A 47 -6.099 20.647 2.114 1.00 62.00 C ATOM 668 OD1 ASP A 47 -6.713 21.058 3.122 1.00 22.22 O ATOM 669 OD2 ASP A 47 -6.531 20.837 0.951 1.00 43.41 O ATOM 0 H ASP A 47 -4.206 20.124 4.722 1.00 62.44 H new ATOM 0 HA ASP A 47 -5.844 18.357 3.289 1.00 20.12 H new ATOM 0 HB2 ASP A 47 -4.025 20.653 2.677 1.00 0.13 H new ATOM 0 HB3 ASP A 47 -4.399 19.590 1.335 1.00 0.13 H new ATOM 673 N ALA A 48 -2.595 17.720 3.180 1.00 0.51 N ATOM 674 CA ALA A 48 -1.584 16.750 2.790 1.00 14.32 C ATOM 675 C ALA A 48 -1.718 15.450 3.575 1.00 31.24 C ATOM 676 O ALA A 48 -1.239 14.408 3.127 1.00 32.12 O ATOM 677 CB ALA A 48 -0.190 17.332 3.032 1.00 72.03 C ATOM 0 H ALA A 48 -2.241 18.465 3.780 1.00 0.51 H new ATOM 0 HA ALA A 48 -1.728 16.531 1.732 1.00 14.32 H new ATOM 0 HB1 ALA A 48 0.565 16.602 2.739 1.00 72.03 H new ATOM 0 HB2 ALA A 48 -0.067 18.239 2.441 1.00 72.03 H new ATOM 0 HB3 ALA A 48 -0.073 17.570 4.089 1.00 72.03 H new ATOM 683 N ARG A 49 -2.324 15.507 4.759 1.00 75.21 N ATOM 684 CA ARG A 49 -2.676 14.329 5.530 1.00 2.24 C ATOM 685 C ARG A 49 -3.900 13.688 4.888 1.00 23.21 C ATOM 686 O ARG A 49 -3.843 12.515 4.536 1.00 63.41 O ATOM 687 CB ARG A 49 -2.937 14.733 6.983 1.00 0.53 C ATOM 688 CG ARG A 49 -1.683 15.243 7.703 1.00 74.00 C ATOM 689 CD ARG A 49 -2.009 15.697 9.133 1.00 23.34 C ATOM 690 NE ARG A 49 -2.383 14.584 10.026 1.00 40.32 N ATOM 691 CZ ARG A 49 -3.013 14.708 11.202 1.00 0.42 C ATOM 692 NH1 ARG A 49 -3.566 15.856 11.569 1.00 33.12 N ATOM 693 NH2 ARG A 49 -3.107 13.669 12.020 1.00 43.31 N ATOM 0 H ARG A 49 -2.585 16.384 5.210 1.00 75.21 H new ATOM 0 HA ARG A 49 -1.864 13.602 5.534 1.00 2.24 H new ATOM 0 HB2 ARG A 49 -3.702 15.509 7.006 1.00 0.53 H new ATOM 0 HB3 ARG A 49 -3.336 13.876 7.525 1.00 0.53 H new ATOM 0 HG2 ARG A 49 -0.931 14.454 7.732 1.00 74.00 H new ATOM 0 HG3 ARG A 49 -1.252 16.074 7.144 1.00 74.00 H new ATOM 0 HD2 ARG A 49 -1.144 16.213 9.549 1.00 23.34 H new ATOM 0 HD3 ARG A 49 -2.826 16.418 9.101 1.00 23.34 H new ATOM 0 HE ARG A 49 -2.142 13.641 9.723 1.00 40.32 H new ATOM 0 HH11 ARG A 49 -3.516 16.666 10.952 1.00 33.12 H new ATOM 0 HH12 ARG A 49 -4.041 15.929 12.469 1.00 33.12 H new ATOM 0 HH21 ARG A 49 -2.699 12.773 11.755 1.00 43.31 H new ATOM 0 HH22 ARG A 49 -3.587 13.766 12.915 1.00 43.31 H new ATOM 704 N ALA A 50 -4.978 14.447 4.682 1.00 12.15 N ATOM 705 CA ALA A 50 -6.234 13.965 4.128 1.00 71.24 C ATOM 706 C ALA A 50 -6.036 13.239 2.800 1.00 3.11 C ATOM 707 O ALA A 50 -6.639 12.186 2.598 1.00 12.34 O ATOM 708 CB ALA A 50 -7.207 15.131 3.960 1.00 15.22 C ATOM 0 H ALA A 50 -4.996 15.442 4.904 1.00 12.15 H new ATOM 0 HA ALA A 50 -6.651 13.241 4.829 1.00 71.24 H new ATOM 0 HB1 ALA A 50 -8.146 14.765 3.545 1.00 15.22 H new ATOM 0 HB2 ALA A 50 -7.394 15.591 4.930 1.00 15.22 H new ATOM 0 HB3 ALA A 50 -6.776 15.870 3.285 1.00 15.22 H new ATOM 714 N TYR A 51 -5.194 13.760 1.901 1.00 20.13 N ATOM 715 CA TYR A 51 -4.884 13.082 0.650 1.00 74.12 C ATOM 716 C TYR A 51 -4.272 11.693 0.929 1.00 22.12 C ATOM 717 O TYR A 51 -4.740 10.679 0.405 1.00 53.20 O ATOM 718 CB TYR A 51 -4.004 13.992 -0.221 1.00 55.41 C ATOM 719 CG TYR A 51 -3.763 13.405 -1.596 1.00 64.14 C ATOM 720 CD1 TYR A 51 -2.841 12.358 -1.738 1.00 21.00 C ATOM 721 CD2 TYR A 51 -4.531 13.814 -2.704 1.00 75.14 C ATOM 722 CE1 TYR A 51 -2.738 11.662 -2.950 1.00 20.24 C ATOM 723 CE2 TYR A 51 -4.400 13.152 -3.942 1.00 1.43 C ATOM 724 CZ TYR A 51 -3.525 12.044 -4.055 1.00 23.24 C ATOM 725 OH TYR A 51 -3.451 11.312 -5.201 1.00 35.02 O ATOM 0 H TYR A 51 -4.716 14.653 2.023 1.00 20.13 H new ATOM 0 HA TYR A 51 -5.794 12.892 0.081 1.00 74.12 H new ATOM 0 HB2 TYR A 51 -4.480 14.967 -0.322 1.00 55.41 H new ATOM 0 HB3 TYR A 51 -3.048 14.154 0.276 1.00 55.41 H new ATOM 0 HD1 TYR A 51 -2.206 12.086 -0.908 1.00 21.00 H new ATOM 0 HD2 TYR A 51 -5.223 14.638 -2.605 1.00 75.14 H new ATOM 0 HE1 TYR A 51 -2.054 10.831 -3.037 1.00 20.24 H new ATOM 0 HE2 TYR A 51 -4.964 13.488 -4.800 1.00 1.43 H new ATOM 0 HH TYR A 51 -3.950 11.766 -5.912 1.00 35.02 H new ATOM 734 N ALA A 52 -3.259 11.608 1.800 1.00 72.10 N ATOM 735 CA ALA A 52 -2.635 10.341 2.179 1.00 2.55 C ATOM 736 C ALA A 52 -3.577 9.398 2.950 1.00 0.53 C ATOM 737 O ALA A 52 -3.248 8.222 3.131 1.00 63.32 O ATOM 738 CB ALA A 52 -1.375 10.624 3.006 1.00 53.50 C ATOM 0 H ALA A 52 -2.850 12.421 2.261 1.00 72.10 H new ATOM 0 HA ALA A 52 -2.378 9.822 1.255 1.00 2.55 H new ATOM 0 HB1 ALA A 52 -0.907 9.681 3.290 1.00 53.50 H new ATOM 0 HB2 ALA A 52 -0.675 11.212 2.413 1.00 53.50 H new ATOM 0 HB3 ALA A 52 -1.646 11.180 3.904 1.00 53.50 H new ATOM 744 N LEU A 53 -4.727 9.890 3.423 1.00 64.31 N ATOM 745 CA LEU A 53 -5.622 9.227 4.370 1.00 53.10 C ATOM 746 C LEU A 53 -7.053 9.133 3.822 1.00 43.11 C ATOM 747 O LEU A 53 -8.006 9.015 4.594 1.00 71.34 O ATOM 748 CB LEU A 53 -5.573 9.941 5.737 1.00 3.43 C ATOM 749 CG LEU A 53 -4.194 9.971 6.430 1.00 33.02 C ATOM 750 CD1 LEU A 53 -4.231 10.922 7.628 1.00 22.12 C ATOM 751 CD2 LEU A 53 -3.767 8.583 6.916 1.00 73.13 C ATOM 0 H LEU A 53 -5.073 10.807 3.140 1.00 64.31 H new ATOM 0 HA LEU A 53 -5.277 8.203 4.512 1.00 53.10 H new ATOM 0 HB2 LEU A 53 -5.913 10.968 5.602 1.00 3.43 H new ATOM 0 HB3 LEU A 53 -6.284 9.455 6.405 1.00 3.43 H new ATOM 0 HG LEU A 53 -3.470 10.316 5.692 1.00 33.02 H new ATOM 0 HD11 LEU A 53 -3.254 10.937 8.111 1.00 22.12 H new ATOM 0 HD12 LEU A 53 -4.483 11.926 7.288 1.00 22.12 H new ATOM 0 HD13 LEU A 53 -4.983 10.581 8.340 1.00 22.12 H new ATOM 0 HD21 LEU A 53 -2.791 8.650 7.397 1.00 73.13 H new ATOM 0 HD22 LEU A 53 -4.499 8.207 7.631 1.00 73.13 H new ATOM 0 HD23 LEU A 53 -3.706 7.903 6.066 1.00 73.13 H new ATOM 762 N THR A 54 -7.226 9.162 2.498 1.00 63.30 N ATOM 763 CA THR A 54 -8.496 8.872 1.821 1.00 2.23 C ATOM 764 C THR A 54 -8.374 7.660 0.883 1.00 44.10 C ATOM 765 O THR A 54 -9.353 7.219 0.277 1.00 12.21 O ATOM 766 CB THR A 54 -8.990 10.149 1.115 1.00 54.22 C ATOM 767 OG1 THR A 54 -10.328 10.011 0.687 1.00 72.11 O ATOM 768 CG2 THR A 54 -8.124 10.550 -0.079 1.00 42.40 C ATOM 0 H THR A 54 -6.472 9.393 1.851 1.00 63.30 H new ATOM 0 HA THR A 54 -9.249 8.584 2.554 1.00 2.23 H new ATOM 0 HB THR A 54 -8.918 10.941 1.861 1.00 54.22 H new ATOM 0 HG1 THR A 54 -10.475 9.098 0.362 1.00 72.11 H new ATOM 0 HG21 THR A 54 -8.526 11.457 -0.532 1.00 42.40 H new ATOM 0 HG22 THR A 54 -7.104 10.734 0.257 1.00 42.40 H new ATOM 0 HG23 THR A 54 -8.124 9.746 -0.815 1.00 42.40 H new ATOM 776 N VAL A 55 -7.172 7.097 0.751 1.00 41.20 N ATOM 777 CA VAL A 55 -6.837 6.057 -0.219 1.00 31.33 C ATOM 778 C VAL A 55 -6.746 4.674 0.450 1.00 12.54 C ATOM 779 O VAL A 55 -6.205 3.713 -0.096 1.00 41.44 O ATOM 780 CB VAL A 55 -5.587 6.538 -0.978 1.00 44.44 C ATOM 781 CG1 VAL A 55 -4.321 6.590 -0.109 1.00 41.12 C ATOM 782 CG2 VAL A 55 -5.351 5.708 -2.236 1.00 24.42 C ATOM 0 H VAL A 55 -6.380 7.362 1.336 1.00 41.20 H new ATOM 0 HA VAL A 55 -7.622 5.903 -0.960 1.00 31.33 H new ATOM 0 HB VAL A 55 -5.796 7.567 -1.271 1.00 44.44 H new ATOM 0 HG11 VAL A 55 -3.481 6.937 -0.710 1.00 41.12 H new ATOM 0 HG12 VAL A 55 -4.479 7.275 0.724 1.00 41.12 H new ATOM 0 HG13 VAL A 55 -4.103 5.594 0.277 1.00 41.12 H new ATOM 0 HG21 VAL A 55 -4.461 6.072 -2.750 1.00 24.42 H new ATOM 0 HG22 VAL A 55 -5.209 4.663 -1.961 1.00 24.42 H new ATOM 0 HG23 VAL A 55 -6.213 5.796 -2.897 1.00 24.42 H new ATOM 792 N VAL A 56 -7.243 4.590 1.680 1.00 1.12 N ATOM 793 CA VAL A 56 -7.197 3.409 2.531 1.00 32.24 C ATOM 794 C VAL A 56 -8.621 3.010 2.895 1.00 41.42 C ATOM 795 O VAL A 56 -9.460 3.883 3.131 1.00 62.41 O ATOM 796 CB VAL A 56 -6.338 3.648 3.793 1.00 63.14 C ATOM 797 CG1 VAL A 56 -5.875 2.298 4.347 1.00 51.24 C ATOM 798 CG2 VAL A 56 -5.123 4.569 3.579 1.00 22.05 C ATOM 0 H VAL A 56 -7.709 5.378 2.129 1.00 1.12 H new ATOM 0 HA VAL A 56 -6.721 2.594 1.985 1.00 32.24 H new ATOM 0 HB VAL A 56 -6.978 4.172 4.503 1.00 63.14 H new ATOM 0 HG11 VAL A 56 -5.268 2.459 5.238 1.00 51.24 H new ATOM 0 HG12 VAL A 56 -6.744 1.693 4.605 1.00 51.24 H new ATOM 0 HG13 VAL A 56 -5.282 1.779 3.593 1.00 51.24 H new ATOM 0 HG21 VAL A 56 -4.580 4.679 4.518 1.00 22.05 H new ATOM 0 HG22 VAL A 56 -4.464 4.134 2.828 1.00 22.05 H new ATOM 0 HG23 VAL A 56 -5.463 5.547 3.240 1.00 22.05 H new ATOM 808 N THR A 57 -8.855 1.699 2.969 1.00 53.41 N ATOM 809 CA THR A 57 -10.135 1.017 3.003 1.00 21.32 C ATOM 810 C THR A 57 -11.028 1.471 1.848 1.00 64.12 C ATOM 811 O THR A 57 -11.096 0.731 0.861 1.00 0.51 O ATOM 812 CB THR A 57 -10.749 0.917 4.414 1.00 43.10 C ATOM 813 OG1 THR A 57 -11.883 0.087 4.347 1.00 0.24 O ATOM 814 CG2 THR A 57 -11.141 2.209 5.136 1.00 23.41 C ATOM 0 H THR A 57 -8.081 1.036 3.010 1.00 53.41 H new ATOM 0 HA THR A 57 -9.984 -0.043 2.798 1.00 21.32 H new ATOM 0 HB THR A 57 -9.931 0.524 5.019 1.00 43.10 H new ATOM 0 HG1 THR A 57 -12.286 0.011 5.237 1.00 0.24 H new ATOM 0 HG21 THR A 57 -11.557 1.967 6.114 1.00 23.41 H new ATOM 0 HG22 THR A 57 -10.259 2.838 5.262 1.00 23.41 H new ATOM 0 HG23 THR A 57 -11.886 2.743 4.547 1.00 23.41 H new ATOM 822 N SER A 58 -11.635 2.658 1.894 1.00 2.13 N ATOM 823 CA SER A 58 -12.740 3.100 1.057 1.00 32.05 C ATOM 824 C SER A 58 -13.918 2.133 1.193 1.00 2.14 C ATOM 825 O SER A 58 -14.850 2.446 1.934 1.00 71.22 O ATOM 826 CB SER A 58 -12.283 3.352 -0.386 1.00 44.41 C ATOM 827 OG SER A 58 -11.144 4.195 -0.431 1.00 53.14 O ATOM 0 H SER A 58 -11.347 3.376 2.559 1.00 2.13 H new ATOM 0 HA SER A 58 -13.101 4.068 1.404 1.00 32.05 H new ATOM 0 HB2 SER A 58 -12.052 2.401 -0.867 1.00 44.41 H new ATOM 0 HB3 SER A 58 -13.096 3.807 -0.952 1.00 44.41 H new ATOM 0 HG SER A 58 -10.877 4.335 -1.364 1.00 53.14 H new ATOM 832 N ASP A 59 -13.816 0.955 0.567 1.00 13.54 N ATOM 833 CA ASP A 59 -14.833 -0.086 0.455 1.00 23.04 C ATOM 834 C ASP A 59 -16.037 0.492 -0.288 1.00 42.11 C ATOM 835 O ASP A 59 -16.875 1.189 0.286 1.00 51.51 O ATOM 836 CB ASP A 59 -15.123 -0.708 1.823 1.00 54.23 C ATOM 837 CG ASP A 59 -16.155 -1.828 1.753 1.00 12.42 C ATOM 838 OD1 ASP A 59 -17.358 -1.542 1.570 1.00 15.25 O ATOM 839 OD2 ASP A 59 -15.757 -2.986 1.996 1.00 15.14 O ATOM 0 H ASP A 59 -12.954 0.689 0.091 1.00 13.54 H new ATOM 0 HA ASP A 59 -14.487 -0.930 -0.142 1.00 23.04 H new ATOM 0 HB2 ASP A 59 -14.197 -1.099 2.244 1.00 54.23 H new ATOM 0 HB3 ASP A 59 -15.479 0.067 2.502 1.00 54.23 H new ATOM 843 N PHE A 60 -16.018 0.334 -1.614 1.00 53.10 N ATOM 844 CA PHE A 60 -16.941 1.010 -2.519 1.00 32.43 C ATOM 845 C PHE A 60 -17.120 0.270 -3.852 1.00 15.42 C ATOM 846 O PHE A 60 -18.185 0.394 -4.457 1.00 40.30 O ATOM 847 CB PHE A 60 -16.473 2.456 -2.772 1.00 32.11 C ATOM 848 CG PHE A 60 -15.306 2.596 -3.733 1.00 4.51 C ATOM 849 CD1 PHE A 60 -14.000 2.296 -3.307 1.00 21.05 C ATOM 850 CD2 PHE A 60 -15.532 2.974 -5.071 1.00 3.13 C ATOM 851 CE1 PHE A 60 -12.925 2.371 -4.210 1.00 14.53 C ATOM 852 CE2 PHE A 60 -14.456 3.055 -5.973 1.00 21.22 C ATOM 853 CZ PHE A 60 -13.152 2.748 -5.545 1.00 54.44 C ATOM 0 H PHE A 60 -15.353 -0.274 -2.091 1.00 53.10 H new ATOM 0 HA PHE A 60 -17.915 1.018 -2.029 1.00 32.43 H new ATOM 0 HB2 PHE A 60 -17.314 3.031 -3.160 1.00 32.11 H new ATOM 0 HB3 PHE A 60 -16.194 2.903 -1.818 1.00 32.11 H new ATOM 0 HD1 PHE A 60 -13.822 2.007 -2.282 1.00 21.05 H new ATOM 0 HD2 PHE A 60 -16.533 3.202 -5.405 1.00 3.13 H new ATOM 0 HE1 PHE A 60 -11.924 2.139 -3.878 1.00 14.53 H new ATOM 0 HE2 PHE A 60 -14.631 3.353 -6.996 1.00 21.22 H new ATOM 0 HZ PHE A 60 -12.327 2.802 -6.240 1.00 54.44 H new ATOM 862 N ASP A 61 -16.109 -0.462 -4.333 1.00 55.50 N ATOM 863 CA ASP A 61 -16.105 -1.152 -5.628 1.00 71.23 C ATOM 864 C ASP A 61 -15.014 -2.234 -5.605 1.00 32.01 C ATOM 865 O ASP A 61 -14.338 -2.411 -4.585 1.00 12.23 O ATOM 866 CB ASP A 61 -15.881 -0.134 -6.761 1.00 55.53 C ATOM 867 CG ASP A 61 -16.334 -0.635 -8.135 1.00 1.52 C ATOM 868 OD1 ASP A 61 -15.584 -1.378 -8.805 1.00 31.40 O ATOM 869 OD2 ASP A 61 -17.389 -0.175 -8.619 1.00 0.23 O ATOM 0 H ASP A 61 -15.241 -0.595 -3.814 1.00 55.50 H new ATOM 0 HA ASP A 61 -17.066 -1.634 -5.810 1.00 71.23 H new ATOM 0 HB2 ASP A 61 -16.418 0.785 -6.524 1.00 55.53 H new ATOM 0 HB3 ASP A 61 -14.822 0.118 -6.807 1.00 55.53 H new ATOM 873 N GLU A 62 -14.818 -2.953 -6.705 1.00 51.11 N ATOM 874 CA GLU A 62 -13.921 -4.090 -6.872 1.00 24.21 C ATOM 875 C GLU A 62 -12.951 -3.867 -8.059 1.00 23.20 C ATOM 876 O GLU A 62 -12.958 -4.648 -9.013 1.00 42.23 O ATOM 877 CB GLU A 62 -14.777 -5.374 -6.975 1.00 2.30 C ATOM 878 CG GLU A 62 -15.961 -5.274 -7.956 1.00 43.54 C ATOM 879 CD GLU A 62 -16.670 -6.613 -8.141 1.00 41.12 C ATOM 880 OE1 GLU A 62 -17.337 -7.081 -7.187 1.00 74.42 O ATOM 881 OE2 GLU A 62 -16.632 -7.167 -9.266 1.00 13.21 O ATOM 0 H GLU A 62 -15.320 -2.740 -7.567 1.00 51.11 H new ATOM 0 HA GLU A 62 -13.268 -4.203 -6.007 1.00 24.21 H new ATOM 0 HB2 GLU A 62 -14.135 -6.200 -7.282 1.00 2.30 H new ATOM 0 HB3 GLU A 62 -15.161 -5.620 -5.985 1.00 2.30 H new ATOM 0 HG2 GLU A 62 -16.673 -4.535 -7.589 1.00 43.54 H new ATOM 0 HG3 GLU A 62 -15.602 -4.918 -8.922 1.00 43.54 H new ATOM 886 N PRO A 63 -12.104 -2.815 -8.035 1.00 23.40 N ATOM 887 CA PRO A 63 -11.108 -2.579 -9.072 1.00 54.35 C ATOM 888 C PRO A 63 -9.903 -3.517 -8.915 1.00 42.41 C ATOM 889 O PRO A 63 -9.368 -3.712 -7.811 1.00 10.50 O ATOM 890 CB PRO A 63 -10.686 -1.119 -8.909 1.00 50.31 C ATOM 891 CG PRO A 63 -10.859 -0.875 -7.414 1.00 73.12 C ATOM 892 CD PRO A 63 -12.051 -1.751 -7.044 1.00 70.43 C ATOM 0 HA PRO A 63 -11.515 -2.775 -10.064 1.00 54.35 H new ATOM 0 HB2 PRO A 63 -9.656 -0.959 -9.227 1.00 50.31 H new ATOM 0 HB3 PRO A 63 -11.310 -0.450 -9.502 1.00 50.31 H new ATOM 0 HG2 PRO A 63 -9.966 -1.156 -6.856 1.00 73.12 H new ATOM 0 HG3 PRO A 63 -11.052 0.176 -7.199 1.00 73.12 H new ATOM 0 HD2 PRO A 63 -11.935 -2.161 -6.041 1.00 70.43 H new ATOM 0 HD3 PRO A 63 -12.974 -1.172 -7.047 1.00 70.43 H new ATOM 897 N GLY A 64 -9.436 -4.031 -10.050 1.00 54.32 N ATOM 898 CA GLY A 64 -8.257 -4.872 -10.172 1.00 53.11 C ATOM 899 C GLY A 64 -6.975 -4.127 -9.804 1.00 44.12 C ATOM 900 O GLY A 64 -6.941 -2.895 -9.711 1.00 50.45 O ATOM 0 H GLY A 64 -9.892 -3.863 -10.947 1.00 54.32 H new ATOM 0 HA2 GLY A 64 -8.366 -5.744 -9.527 1.00 53.11 H new ATOM 0 HA3 GLY A 64 -8.180 -5.240 -11.195 1.00 53.11 H new ATOM 904 N ASP A 65 -5.904 -4.891 -9.600 1.00 43.44 N ATOM 905 CA ASP A 65 -4.689 -4.481 -8.898 1.00 71.24 C ATOM 906 C ASP A 65 -3.873 -3.395 -9.606 1.00 1.34 C ATOM 907 O ASP A 65 -3.022 -2.773 -8.965 1.00 70.24 O ATOM 908 CB ASP A 65 -3.803 -5.707 -8.639 1.00 13.33 C ATOM 909 CG ASP A 65 -3.005 -6.153 -9.862 1.00 41.21 C ATOM 910 OD1 ASP A 65 -3.617 -6.617 -10.849 1.00 1.52 O ATOM 911 OD2 ASP A 65 -1.759 -6.099 -9.823 1.00 50.11 O ATOM 0 H ASP A 65 -5.857 -5.854 -9.933 1.00 43.44 H new ATOM 0 HA ASP A 65 -5.026 -4.033 -7.963 1.00 71.24 H new ATOM 0 HB2 ASP A 65 -3.112 -5.480 -7.827 1.00 13.33 H new ATOM 0 HB3 ASP A 65 -4.429 -6.533 -8.303 1.00 13.33 H new ATOM 915 N GLU A 66 -4.123 -3.115 -10.886 1.00 22.14 N ATOM 916 CA GLU A 66 -3.266 -2.248 -11.695 1.00 71.45 C ATOM 917 C GLU A 66 -3.833 -0.842 -11.932 1.00 62.44 C ATOM 918 O GLU A 66 -3.103 0.024 -12.419 1.00 65.42 O ATOM 919 CB GLU A 66 -2.935 -2.944 -13.022 1.00 41.21 C ATOM 920 CG GLU A 66 -4.153 -3.209 -13.921 1.00 34.42 C ATOM 921 CD GLU A 66 -3.715 -3.787 -15.268 1.00 14.33 C ATOM 922 OE1 GLU A 66 -2.977 -4.802 -15.269 1.00 11.34 O ATOM 923 OE2 GLU A 66 -4.049 -3.207 -16.321 1.00 12.12 O ATOM 0 H GLU A 66 -4.928 -3.484 -11.392 1.00 22.14 H new ATOM 0 HA GLU A 66 -2.354 -2.088 -11.120 1.00 71.45 H new ATOM 0 HB2 GLU A 66 -2.220 -2.331 -13.571 1.00 41.21 H new ATOM 0 HB3 GLU A 66 -2.443 -3.893 -12.808 1.00 41.21 H new ATOM 0 HG2 GLU A 66 -4.833 -3.902 -13.426 1.00 34.42 H new ATOM 0 HG3 GLU A 66 -4.703 -2.281 -14.079 1.00 34.42 H new ATOM 928 N ASP A 67 -5.100 -0.583 -11.585 1.00 52.32 N ATOM 929 CA ASP A 67 -5.761 0.707 -11.868 1.00 64.15 C ATOM 930 C ASP A 67 -5.171 1.834 -11.026 1.00 74.42 C ATOM 931 O ASP A 67 -5.235 3.001 -11.389 1.00 32.40 O ATOM 932 CB ASP A 67 -7.266 0.623 -11.600 1.00 62.13 C ATOM 933 CG ASP A 67 -7.971 1.888 -12.100 1.00 30.34 C ATOM 934 OD1 ASP A 67 -7.802 2.221 -13.296 1.00 13.41 O ATOM 935 OD2 ASP A 67 -8.703 2.506 -11.288 1.00 13.41 O ATOM 0 H ASP A 67 -5.697 -1.255 -11.103 1.00 52.32 H new ATOM 0 HA ASP A 67 -5.590 0.925 -12.922 1.00 64.15 H new ATOM 0 HB2 ASP A 67 -7.682 -0.253 -12.098 1.00 62.13 H new ATOM 0 HB3 ASP A 67 -7.445 0.498 -10.532 1.00 62.13 H new ATOM 939 N VAL A 68 -4.494 1.475 -9.942 1.00 72.33 N ATOM 940 CA VAL A 68 -3.764 2.360 -9.056 1.00 65.32 C ATOM 941 C VAL A 68 -2.870 3.344 -9.829 1.00 12.40 C ATOM 942 O VAL A 68 -2.902 4.536 -9.530 1.00 54.21 O ATOM 943 CB VAL A 68 -3.022 1.457 -8.059 1.00 24.04 C ATOM 944 CG1 VAL A 68 -1.887 0.663 -8.713 1.00 73.14 C ATOM 945 CG2 VAL A 68 -2.506 2.237 -6.845 1.00 70.02 C ATOM 0 H VAL A 68 -4.440 0.501 -9.645 1.00 72.33 H new ATOM 0 HA VAL A 68 -4.430 3.023 -8.504 1.00 65.32 H new ATOM 0 HB VAL A 68 -3.761 0.738 -7.706 1.00 24.04 H new ATOM 0 HG11 VAL A 68 -1.398 0.042 -7.962 1.00 73.14 H new ATOM 0 HG12 VAL A 68 -2.294 0.028 -9.500 1.00 73.14 H new ATOM 0 HG13 VAL A 68 -1.161 1.353 -9.143 1.00 73.14 H new ATOM 0 HG21 VAL A 68 -1.989 1.557 -6.169 1.00 70.02 H new ATOM 0 HG22 VAL A 68 -1.816 3.013 -7.177 1.00 70.02 H new ATOM 0 HG23 VAL A 68 -3.346 2.697 -6.324 1.00 70.02 H new ATOM 955 N PHE A 69 -2.122 2.885 -10.843 1.00 32.32 N ATOM 956 CA PHE A 69 -1.281 3.765 -11.648 1.00 61.44 C ATOM 957 C PHE A 69 -2.164 4.777 -12.363 1.00 4.32 C ATOM 958 O PHE A 69 -1.893 5.970 -12.323 1.00 41.33 O ATOM 959 CB PHE A 69 -0.447 2.957 -12.656 1.00 4.40 C ATOM 960 CG PHE A 69 0.268 3.819 -13.687 1.00 44.33 C ATOM 961 CD1 PHE A 69 -0.434 4.290 -14.817 1.00 32.14 C ATOM 962 CD2 PHE A 69 1.609 4.207 -13.501 1.00 3.32 C ATOM 963 CE1 PHE A 69 0.158 5.211 -15.697 1.00 52.34 C ATOM 964 CE2 PHE A 69 2.194 5.125 -14.387 1.00 53.31 C ATOM 965 CZ PHE A 69 1.471 5.644 -15.472 1.00 51.53 C ATOM 0 H PHE A 69 -2.087 1.904 -11.121 1.00 32.32 H new ATOM 0 HA PHE A 69 -0.583 4.291 -10.996 1.00 61.44 H new ATOM 0 HB2 PHE A 69 0.292 2.367 -12.113 1.00 4.40 H new ATOM 0 HB3 PHE A 69 -1.099 2.253 -13.173 1.00 4.40 H new ATOM 0 HD1 PHE A 69 -1.437 3.939 -15.007 1.00 32.14 H new ATOM 0 HD2 PHE A 69 2.184 3.801 -12.682 1.00 3.32 H new ATOM 0 HE1 PHE A 69 -0.398 5.584 -16.545 1.00 52.34 H new ATOM 0 HE2 PHE A 69 3.216 5.437 -14.231 1.00 53.31 H new ATOM 0 HZ PHE A 69 1.924 6.372 -16.129 1.00 51.53 H new ATOM 974 N ARG A 70 -3.231 4.307 -13.011 1.00 5.23 N ATOM 975 CA ARG A 70 -4.178 5.151 -13.724 1.00 2.10 C ATOM 976 C ARG A 70 -4.822 6.162 -12.772 1.00 43.21 C ATOM 977 O ARG A 70 -5.027 7.306 -13.177 1.00 61.14 O ATOM 978 CB ARG A 70 -5.197 4.245 -14.439 1.00 14.23 C ATOM 979 CG ARG A 70 -4.715 3.863 -15.847 1.00 61.01 C ATOM 980 CD ARG A 70 -5.638 2.790 -16.427 1.00 33.13 C ATOM 981 NE ARG A 70 -5.418 2.552 -17.865 1.00 3.52 N ATOM 982 CZ ARG A 70 -5.604 1.386 -18.499 1.00 31.03 C ATOM 983 NH1 ARG A 70 -6.146 0.348 -17.866 1.00 5.50 N ATOM 984 NH2 ARG A 70 -5.236 1.272 -19.768 1.00 52.31 N ATOM 0 H ARG A 70 -3.461 3.314 -13.053 1.00 5.23 H new ATOM 0 HA ARG A 70 -3.672 5.747 -14.483 1.00 2.10 H new ATOM 0 HB2 ARG A 70 -5.359 3.342 -13.851 1.00 14.23 H new ATOM 0 HB3 ARG A 70 -6.157 4.757 -14.508 1.00 14.23 H new ATOM 0 HG2 ARG A 70 -4.710 4.741 -16.492 1.00 61.01 H new ATOM 0 HG3 ARG A 70 -3.691 3.493 -15.805 1.00 61.01 H new ATOM 0 HD2 ARG A 70 -5.487 1.857 -15.883 1.00 33.13 H new ATOM 0 HD3 ARG A 70 -6.675 3.087 -16.269 1.00 33.13 H new ATOM 0 HE ARG A 70 -5.097 3.342 -18.425 1.00 3.52 H new ATOM 0 HH11 ARG A 70 -6.424 0.435 -16.889 1.00 5.50 H new ATOM 0 HH12 ARG A 70 -6.283 -0.535 -18.358 1.00 5.50 H new ATOM 0 HH21 ARG A 70 -4.817 2.067 -20.251 1.00 52.31 H new ATOM 0 HH22 ARG A 70 -5.372 0.390 -20.261 1.00 52.31 H new ATOM 995 N LYS A 71 -5.099 5.803 -11.512 1.00 70.31 N ATOM 996 CA LYS A 71 -5.637 6.770 -10.553 1.00 3.12 C ATOM 997 C LYS A 71 -4.597 7.811 -10.170 1.00 3.50 C ATOM 998 O LYS A 71 -4.919 9.000 -10.109 1.00 74.42 O ATOM 999 CB LYS A 71 -6.217 6.095 -9.314 1.00 51.41 C ATOM 1000 CG LYS A 71 -7.678 5.680 -9.549 1.00 1.23 C ATOM 1001 CD LYS A 71 -8.422 5.237 -8.282 1.00 2.34 C ATOM 1002 CE LYS A 71 -8.441 6.345 -7.218 1.00 15.21 C ATOM 1003 NZ LYS A 71 -9.461 6.121 -6.177 1.00 41.25 N ATOM 0 H LYS A 71 -4.961 4.864 -11.139 1.00 70.31 H new ATOM 0 HA LYS A 71 -6.459 7.282 -11.054 1.00 3.12 H new ATOM 0 HB2 LYS A 71 -5.622 5.218 -9.061 1.00 51.41 H new ATOM 0 HB3 LYS A 71 -6.160 6.775 -8.464 1.00 51.41 H new ATOM 0 HG2 LYS A 71 -8.214 6.517 -9.996 1.00 1.23 H new ATOM 0 HG3 LYS A 71 -7.700 4.865 -10.272 1.00 1.23 H new ATOM 0 HD2 LYS A 71 -9.445 4.961 -8.538 1.00 2.34 H new ATOM 0 HD3 LYS A 71 -7.945 4.347 -7.872 1.00 2.34 H new ATOM 0 HE2 LYS A 71 -7.459 6.409 -6.750 1.00 15.21 H new ATOM 0 HE3 LYS A 71 -8.627 7.304 -7.702 1.00 15.21 H new ATOM 0 HZ1 LYS A 71 -9.429 6.898 -5.487 1.00 41.25 H new ATOM 0 HZ2 LYS A 71 -10.403 6.087 -6.616 1.00 41.25 H new ATOM 0 HZ3 LYS A 71 -9.271 5.220 -5.693 1.00 41.25 H new ATOM 1013 N LEU A 72 -3.364 7.395 -9.884 1.00 53.32 N ATOM 1014 CA LEU A 72 -2.299 8.314 -9.499 1.00 12.14 C ATOM 1015 C LEU A 72 -1.956 9.234 -10.667 1.00 25.32 C ATOM 1016 O LEU A 72 -1.845 10.437 -10.460 1.00 22.32 O ATOM 1017 CB LEU A 72 -1.064 7.538 -9.002 1.00 34.33 C ATOM 1018 CG LEU A 72 -1.004 7.275 -7.485 1.00 74.45 C ATOM 1019 CD1 LEU A 72 -0.667 8.565 -6.744 1.00 70.42 C ATOM 1020 CD2 LEU A 72 -2.269 6.657 -6.872 1.00 11.30 C ATOM 0 H LEU A 72 -3.078 6.416 -9.913 1.00 53.32 H new ATOM 0 HA LEU A 72 -2.645 8.935 -8.672 1.00 12.14 H new ATOM 0 HB2 LEU A 72 -1.028 6.579 -9.520 1.00 34.33 H new ATOM 0 HB3 LEU A 72 -0.170 8.091 -9.292 1.00 34.33 H new ATOM 0 HG LEU A 72 -0.221 6.526 -7.364 1.00 74.45 H new ATOM 0 HD11 LEU A 72 -0.627 8.369 -5.672 1.00 70.42 H new ATOM 0 HD12 LEU A 72 0.301 8.936 -7.082 1.00 70.42 H new ATOM 0 HD13 LEU A 72 -1.434 9.313 -6.948 1.00 70.42 H new ATOM 0 HD21 LEU A 72 -2.122 6.513 -5.802 1.00 11.30 H new ATOM 0 HD22 LEU A 72 -3.116 7.324 -7.035 1.00 11.30 H new ATOM 0 HD23 LEU A 72 -2.469 5.695 -7.343 1.00 11.30 H new ATOM 1031 N ALA A 73 -1.836 8.711 -11.888 1.00 31.03 N ATOM 1032 CA ALA A 73 -1.575 9.500 -13.085 1.00 54.43 C ATOM 1033 C ALA A 73 -2.681 10.536 -13.290 1.00 10.41 C ATOM 1034 O ALA A 73 -2.380 11.697 -13.538 1.00 25.00 O ATOM 1035 CB ALA A 73 -1.439 8.578 -14.300 1.00 34.31 C ATOM 0 H ALA A 73 -1.919 7.711 -12.072 1.00 31.03 H new ATOM 0 HA ALA A 73 -0.635 10.038 -12.962 1.00 54.43 H new ATOM 0 HB1 ALA A 73 -1.244 9.176 -15.190 1.00 34.31 H new ATOM 0 HB2 ALA A 73 -0.613 7.885 -14.140 1.00 34.31 H new ATOM 0 HB3 ALA A 73 -2.363 8.016 -14.436 1.00 34.31 H new ATOM 1041 N ALA A 74 -3.952 10.155 -13.122 1.00 51.14 N ATOM 1042 CA ALA A 74 -5.072 11.088 -13.240 1.00 10.20 C ATOM 1043 C ALA A 74 -5.051 12.188 -12.165 1.00 22.44 C ATOM 1044 O ALA A 74 -5.781 13.175 -12.285 1.00 72.32 O ATOM 1045 CB ALA A 74 -6.392 10.314 -13.187 1.00 22.01 C ATOM 0 H ALA A 74 -4.229 9.198 -12.902 1.00 51.14 H new ATOM 0 HA ALA A 74 -4.974 11.593 -14.201 1.00 10.20 H new ATOM 0 HB1 ALA A 74 -7.226 11.010 -13.275 1.00 22.01 H new ATOM 0 HB2 ALA A 74 -6.428 9.599 -14.009 1.00 22.01 H new ATOM 0 HB3 ALA A 74 -6.463 9.781 -12.239 1.00 22.01 H new ATOM 1051 N ASP A 75 -4.249 12.046 -11.107 1.00 11.12 N ATOM 1052 CA ASP A 75 -4.039 13.061 -10.075 1.00 31.33 C ATOM 1053 C ASP A 75 -2.744 13.837 -10.321 1.00 2.12 C ATOM 1054 O ASP A 75 -2.646 15.001 -9.926 1.00 32.21 O ATOM 1055 CB ASP A 75 -3.998 12.396 -8.682 1.00 50.43 C ATOM 1056 CG ASP A 75 -5.313 12.478 -7.902 1.00 71.24 C ATOM 1057 OD1 ASP A 75 -6.255 13.191 -8.313 1.00 34.42 O ATOM 1058 OD2 ASP A 75 -5.405 11.805 -6.849 1.00 74.21 O ATOM 0 H ASP A 75 -3.712 11.195 -10.941 1.00 11.12 H new ATOM 0 HA ASP A 75 -4.871 13.765 -10.116 1.00 31.33 H new ATOM 0 HB2 ASP A 75 -3.726 11.347 -8.802 1.00 50.43 H new ATOM 0 HB3 ASP A 75 -3.210 12.865 -8.092 1.00 50.43 H new ATOM 1062 N LEU A 76 -1.754 13.247 -10.993 1.00 3.20 N ATOM 1063 CA LEU A 76 -0.371 13.720 -11.037 1.00 43.13 C ATOM 1064 C LEU A 76 0.104 14.059 -12.450 1.00 52.22 C ATOM 1065 O LEU A 76 1.294 14.298 -12.635 1.00 11.12 O ATOM 1066 CB LEU A 76 0.563 12.666 -10.423 1.00 54.13 C ATOM 1067 CG LEU A 76 0.332 12.345 -8.940 1.00 71.21 C ATOM 1068 CD1 LEU A 76 1.354 11.287 -8.511 1.00 63.21 C ATOM 1069 CD2 LEU A 76 0.472 13.587 -8.056 1.00 24.31 C ATOM 0 H LEU A 76 -1.899 12.398 -11.540 1.00 3.20 H new ATOM 0 HA LEU A 76 -0.339 14.643 -10.458 1.00 43.13 H new ATOM 0 HB2 LEU A 76 0.462 11.743 -10.994 1.00 54.13 H new ATOM 0 HB3 LEU A 76 1.592 13.006 -10.545 1.00 54.13 H new ATOM 0 HG LEU A 76 -0.686 11.975 -8.818 1.00 71.21 H new ATOM 0 HD11 LEU A 76 1.207 11.044 -7.459 1.00 63.21 H new ATOM 0 HD12 LEU A 76 1.221 10.388 -9.113 1.00 63.21 H new ATOM 0 HD13 LEU A 76 2.362 11.675 -8.656 1.00 63.21 H new ATOM 0 HD21 LEU A 76 0.301 13.314 -7.015 1.00 24.31 H new ATOM 0 HD22 LEU A 76 1.476 13.998 -8.163 1.00 24.31 H new ATOM 0 HD23 LEU A 76 -0.261 14.335 -8.360 1.00 24.31 H new ATOM 1080 N GLU A 77 -0.781 14.084 -13.441 1.00 3.13 N ATOM 1081 CA GLU A 77 -0.467 14.434 -14.818 1.00 72.11 C ATOM 1082 C GLU A 77 0.245 15.797 -14.871 1.00 41.12 C ATOM 1083 O GLU A 77 -0.352 16.836 -14.583 1.00 31.12 O ATOM 1084 CB GLU A 77 -1.766 14.412 -15.639 1.00 21.43 C ATOM 1085 CG GLU A 77 -1.502 14.667 -17.129 1.00 61.02 C ATOM 1086 CD GLU A 77 -1.981 13.530 -18.037 1.00 30.11 C ATOM 1087 OE1 GLU A 77 -1.342 12.447 -18.034 1.00 3.52 O ATOM 1088 OE2 GLU A 77 -2.875 13.792 -18.874 1.00 72.01 O ATOM 0 H GLU A 77 -1.765 13.854 -13.302 1.00 3.13 H new ATOM 0 HA GLU A 77 0.221 13.709 -15.252 1.00 72.11 H new ATOM 0 HB2 GLU A 77 -2.257 13.447 -15.517 1.00 21.43 H new ATOM 0 HB3 GLU A 77 -2.451 15.169 -15.256 1.00 21.43 H new ATOM 0 HG2 GLU A 77 -1.998 15.591 -17.425 1.00 61.02 H new ATOM 0 HG3 GLU A 77 -0.433 14.816 -17.280 1.00 61.02 H new ATOM 1093 N GLY A 78 1.540 15.795 -15.203 1.00 54.41 N ATOM 1094 CA GLY A 78 2.380 16.990 -15.247 1.00 23.11 C ATOM 1095 C GLY A 78 3.175 17.238 -13.969 1.00 4.11 C ATOM 1096 O GLY A 78 4.095 18.053 -13.981 1.00 1.30 O ATOM 0 H GLY A 78 2.042 14.943 -15.454 1.00 54.41 H new ATOM 0 HA2 GLY A 78 3.074 16.903 -16.083 1.00 23.11 H new ATOM 0 HA3 GLY A 78 1.750 17.857 -15.445 1.00 23.11 H new ATOM 1100 N LYS A 79 2.877 16.536 -12.877 1.00 24.34 N ATOM 1101 CA LYS A 79 3.669 16.551 -11.653 1.00 11.20 C ATOM 1102 C LYS A 79 4.574 15.331 -11.538 1.00 21.24 C ATOM 1103 O LYS A 79 5.564 15.413 -10.811 1.00 53.43 O ATOM 1104 CB LYS A 79 2.761 16.667 -10.419 1.00 52.21 C ATOM 1105 CG LYS A 79 2.341 18.121 -10.183 1.00 64.35 C ATOM 1106 CD LYS A 79 1.103 18.604 -10.930 1.00 41.44 C ATOM 1107 CE LYS A 79 -0.205 18.220 -10.243 1.00 21.34 C ATOM 1108 NZ LYS A 79 -1.300 19.038 -10.791 1.00 10.43 N ATOM 0 H LYS A 79 2.060 15.928 -12.820 1.00 24.34 H new ATOM 0 HA LYS A 79 4.313 17.429 -11.700 1.00 11.20 H new ATOM 0 HB2 LYS A 79 1.875 16.046 -10.555 1.00 52.21 H new ATOM 0 HB3 LYS A 79 3.284 16.288 -9.541 1.00 52.21 H new ATOM 0 HG2 LYS A 79 2.169 18.257 -9.115 1.00 64.35 H new ATOM 0 HG3 LYS A 79 3.177 18.766 -10.456 1.00 64.35 H new ATOM 0 HD2 LYS A 79 1.148 19.688 -11.030 1.00 41.44 H new ATOM 0 HD3 LYS A 79 1.111 18.190 -11.938 1.00 41.44 H new ATOM 0 HE2 LYS A 79 -0.414 17.161 -10.398 1.00 21.34 H new ATOM 0 HE3 LYS A 79 -0.123 18.375 -9.167 1.00 21.34 H new ATOM 0 HZ1 LYS A 79 -2.193 18.779 -10.325 1.00 10.43 H new ATOM 0 HZ2 LYS A 79 -1.100 20.044 -10.621 1.00 10.43 H new ATOM 0 HZ3 LYS A 79 -1.381 18.869 -11.814 1.00 10.43 H new ATOM 1118 N ALA A 80 4.237 14.218 -12.198 1.00 41.35 N ATOM 1119 CA ALA A 80 4.998 12.981 -12.174 1.00 41.41 C ATOM 1120 C ALA A 80 4.625 12.123 -13.387 1.00 43.43 C ATOM 1121 O ALA A 80 3.463 11.748 -13.546 1.00 4.24 O ATOM 1122 CB ALA A 80 4.680 12.232 -10.873 1.00 13.41 C ATOM 0 H ALA A 80 3.401 14.159 -12.779 1.00 41.35 H new ATOM 0 HA ALA A 80 6.066 13.196 -12.217 1.00 41.41 H new ATOM 0 HB1 ALA A 80 5.245 11.300 -10.842 1.00 13.41 H new ATOM 0 HB2 ALA A 80 4.955 12.852 -10.020 1.00 13.41 H new ATOM 0 HB3 ALA A 80 3.613 12.011 -10.832 1.00 13.41 H new ATOM 1128 N ASP A 81 5.603 11.778 -14.223 1.00 70.22 N ATOM 1129 CA ASP A 81 5.450 10.753 -15.256 1.00 25.21 C ATOM 1130 C ASP A 81 5.487 9.361 -14.638 1.00 62.22 C ATOM 1131 O ASP A 81 5.830 9.164 -13.466 1.00 30.24 O ATOM 1132 CB ASP A 81 6.596 10.799 -16.277 1.00 11.12 C ATOM 1133 CG ASP A 81 6.398 11.805 -17.399 1.00 54.24 C ATOM 1134 OD1 ASP A 81 5.263 11.941 -17.893 1.00 32.01 O ATOM 1135 OD2 ASP A 81 7.429 12.328 -17.882 1.00 61.13 O ATOM 0 H ASP A 81 6.530 12.204 -14.203 1.00 70.22 H new ATOM 0 HA ASP A 81 4.496 10.953 -15.743 1.00 25.21 H new ATOM 0 HB2 ASP A 81 7.523 11.034 -15.754 1.00 11.12 H new ATOM 0 HB3 ASP A 81 6.719 9.807 -16.712 1.00 11.12 H new ATOM 1139 N GLU A 82 5.273 8.353 -15.487 1.00 51.52 N ATOM 1140 CA GLU A 82 5.513 6.967 -15.148 1.00 23.22 C ATOM 1141 C GLU A 82 6.921 6.734 -14.594 1.00 2.41 C ATOM 1142 O GLU A 82 7.085 5.916 -13.686 1.00 52.34 O ATOM 1143 CB GLU A 82 5.202 6.053 -16.346 1.00 51.35 C ATOM 1144 CG GLU A 82 5.379 4.584 -15.941 1.00 4.40 C ATOM 1145 CD GLU A 82 4.712 3.558 -16.857 1.00 13.52 C ATOM 1146 OE1 GLU A 82 3.490 3.606 -17.086 1.00 71.44 O ATOM 1147 OE2 GLU A 82 5.394 2.571 -17.221 1.00 54.12 O ATOM 0 H GLU A 82 4.925 8.488 -16.436 1.00 51.52 H new ATOM 0 HA GLU A 82 4.829 6.705 -14.341 1.00 23.22 H new ATOM 0 HB2 GLU A 82 4.182 6.224 -16.690 1.00 51.35 H new ATOM 0 HB3 GLU A 82 5.864 6.292 -17.179 1.00 51.35 H new ATOM 0 HG2 GLU A 82 6.446 4.365 -15.897 1.00 4.40 H new ATOM 0 HG3 GLU A 82 4.985 4.454 -14.933 1.00 4.40 H new ATOM 1152 N GLU A 83 7.892 7.519 -15.067 1.00 62.04 N ATOM 1153 CA GLU A 83 9.291 7.527 -14.664 1.00 4.34 C ATOM 1154 C GLU A 83 9.476 7.639 -13.142 1.00 43.52 C ATOM 1155 O GLU A 83 10.512 7.226 -12.623 1.00 24.44 O ATOM 1156 CB GLU A 83 9.987 8.662 -15.445 1.00 1.10 C ATOM 1157 CG GLU A 83 11.506 8.699 -15.241 1.00 73.03 C ATOM 1158 CD GLU A 83 12.254 9.316 -16.429 1.00 22.01 C ATOM 1159 OE1 GLU A 83 12.449 10.554 -16.479 1.00 5.13 O ATOM 1160 OE2 GLU A 83 12.802 8.539 -17.244 1.00 44.21 O ATOM 0 H GLU A 83 7.703 8.212 -15.791 1.00 62.04 H new ATOM 0 HA GLU A 83 9.755 6.572 -14.911 1.00 4.34 H new ATOM 0 HB2 GLU A 83 9.773 8.546 -16.508 1.00 1.10 H new ATOM 0 HB3 GLU A 83 9.563 9.618 -15.137 1.00 1.10 H new ATOM 0 HG2 GLU A 83 11.732 9.269 -14.340 1.00 73.03 H new ATOM 0 HG3 GLU A 83 11.870 7.685 -15.076 1.00 73.03 H new ATOM 1165 N THR A 84 8.470 8.123 -12.408 1.00 12.13 N ATOM 1166 CA THR A 84 8.513 8.227 -10.956 1.00 61.44 C ATOM 1167 C THR A 84 7.301 7.541 -10.310 1.00 73.45 C ATOM 1168 O THR A 84 7.443 6.908 -9.263 1.00 5.34 O ATOM 1169 CB THR A 84 8.724 9.710 -10.623 1.00 32.31 C ATOM 1170 OG1 THR A 84 9.286 9.895 -9.339 1.00 70.21 O ATOM 1171 CG2 THR A 84 7.498 10.594 -10.770 1.00 64.33 C ATOM 0 H THR A 84 7.596 8.456 -12.814 1.00 12.13 H new ATOM 0 HA THR A 84 9.346 7.679 -10.517 1.00 61.44 H new ATOM 0 HB THR A 84 9.428 10.036 -11.388 1.00 32.31 H new ATOM 0 HG1 THR A 84 9.405 10.853 -9.169 1.00 70.21 H new ATOM 0 HG21 THR A 84 7.757 11.621 -10.511 1.00 64.33 H new ATOM 0 HG22 THR A 84 7.145 10.558 -11.801 1.00 64.33 H new ATOM 0 HG23 THR A 84 6.711 10.239 -10.104 1.00 64.33 H new ATOM 1179 N ILE A 85 6.130 7.569 -10.959 1.00 3.42 N ATOM 1180 CA ILE A 85 4.925 6.871 -10.481 1.00 1.52 C ATOM 1181 C ILE A 85 5.215 5.375 -10.309 1.00 42.15 C ATOM 1182 O ILE A 85 5.125 4.855 -9.191 1.00 50.45 O ATOM 1183 CB ILE A 85 3.716 7.080 -11.421 1.00 45.13 C ATOM 1184 CG1 ILE A 85 3.270 8.560 -11.495 1.00 65.25 C ATOM 1185 CG2 ILE A 85 2.469 6.262 -11.011 1.00 43.32 C ATOM 1186 CD1 ILE A 85 2.223 8.841 -12.580 1.00 22.41 C ATOM 0 H ILE A 85 5.989 8.077 -11.832 1.00 3.42 H new ATOM 0 HA ILE A 85 4.660 7.302 -9.516 1.00 1.52 H new ATOM 0 HB ILE A 85 4.082 6.737 -12.389 1.00 45.13 H new ATOM 0 HG12 ILE A 85 2.864 8.856 -10.527 1.00 65.25 H new ATOM 0 HG13 ILE A 85 4.145 9.184 -11.678 1.00 65.25 H new ATOM 0 HG21 ILE A 85 1.659 6.457 -11.714 1.00 43.32 H new ATOM 0 HG22 ILE A 85 2.711 5.199 -11.022 1.00 43.32 H new ATOM 0 HG23 ILE A 85 2.157 6.553 -10.008 1.00 43.32 H new ATOM 0 HD11 ILE A 85 1.962 9.899 -12.568 1.00 22.41 H new ATOM 0 HD12 ILE A 85 2.631 8.579 -13.556 1.00 22.41 H new ATOM 0 HD13 ILE A 85 1.331 8.245 -12.388 1.00 22.41 H new ATOM 1197 N ARG A 86 5.514 4.657 -11.401 1.00 63.14 N ATOM 1198 CA ARG A 86 5.765 3.215 -11.340 1.00 73.23 C ATOM 1199 C ARG A 86 6.913 2.953 -10.375 1.00 24.10 C ATOM 1200 O ARG A 86 6.859 1.973 -9.639 1.00 64.21 O ATOM 1201 CB ARG A 86 6.106 2.674 -12.742 1.00 44.12 C ATOM 1202 CG ARG A 86 4.946 2.031 -13.517 1.00 30.23 C ATOM 1203 CD ARG A 86 4.873 0.502 -13.422 1.00 1.52 C ATOM 1204 NE ARG A 86 4.451 -0.076 -14.713 1.00 61.11 N ATOM 1205 CZ ARG A 86 4.031 -1.326 -14.935 1.00 2.11 C ATOM 1206 NH1 ARG A 86 3.937 -2.205 -13.946 1.00 12.41 N ATOM 1207 NH2 ARG A 86 3.709 -1.702 -16.169 1.00 52.41 N ATOM 0 H ARG A 86 5.587 5.055 -12.337 1.00 63.14 H new ATOM 0 HA ARG A 86 4.871 2.702 -10.987 1.00 73.23 H new ATOM 0 HB2 ARG A 86 6.505 3.494 -13.339 1.00 44.12 H new ATOM 0 HB3 ARG A 86 6.902 1.936 -12.641 1.00 44.12 H new ATOM 0 HG2 ARG A 86 4.008 2.448 -13.150 1.00 30.23 H new ATOM 0 HG3 ARG A 86 5.031 2.311 -14.567 1.00 30.23 H new ATOM 0 HD2 ARG A 86 5.847 0.102 -13.139 1.00 1.52 H new ATOM 0 HD3 ARG A 86 4.170 0.213 -12.640 1.00 1.52 H new ATOM 0 HE ARG A 86 4.483 0.544 -15.522 1.00 61.11 H new ATOM 0 HH11 ARG A 86 4.187 -1.932 -12.996 1.00 12.41 H new ATOM 0 HH12 ARG A 86 3.614 -3.154 -14.136 1.00 12.41 H new ATOM 0 HH21 ARG A 86 3.783 -1.038 -16.940 1.00 52.41 H new ATOM 0 HH22 ARG A 86 3.388 -2.654 -16.345 1.00 52.41 H new ATOM 1218 N ALA A 87 7.900 3.850 -10.348 1.00 12.44 N ATOM 1219 CA ALA A 87 9.092 3.674 -9.522 1.00 23.03 C ATOM 1220 C ALA A 87 8.702 3.590 -8.040 1.00 24.24 C ATOM 1221 O ALA A 87 8.973 2.587 -7.379 1.00 51.54 O ATOM 1222 CB ALA A 87 10.104 4.792 -9.796 1.00 14.42 C ATOM 0 H ALA A 87 7.895 4.712 -10.894 1.00 12.44 H new ATOM 0 HA ALA A 87 9.577 2.733 -9.784 1.00 23.03 H new ATOM 0 HB1 ALA A 87 10.986 4.645 -9.172 1.00 14.42 H new ATOM 0 HB2 ALA A 87 10.395 4.770 -10.846 1.00 14.42 H new ATOM 0 HB3 ALA A 87 9.652 5.757 -9.565 1.00 14.42 H new ATOM 1228 N LYS A 88 7.992 4.602 -7.533 1.00 5.14 N ATOM 1229 CA LYS A 88 7.515 4.655 -6.150 1.00 43.44 C ATOM 1230 C LYS A 88 6.669 3.446 -5.815 1.00 22.43 C ATOM 1231 O LYS A 88 6.810 2.865 -4.743 1.00 54.12 O ATOM 1232 CB LYS A 88 6.684 5.929 -5.927 1.00 43.43 C ATOM 1233 CG LYS A 88 7.560 7.195 -5.909 1.00 14.11 C ATOM 1234 CD LYS A 88 8.098 7.597 -4.523 1.00 4.12 C ATOM 1235 CE LYS A 88 9.324 6.820 -4.016 1.00 54.54 C ATOM 1236 NZ LYS A 88 10.610 7.342 -4.514 1.00 1.40 N ATOM 0 H LYS A 88 7.729 5.420 -8.082 1.00 5.14 H new ATOM 0 HA LYS A 88 8.388 4.662 -5.498 1.00 43.44 H new ATOM 0 HB2 LYS A 88 5.937 6.017 -6.716 1.00 43.43 H new ATOM 0 HB3 LYS A 88 6.144 5.849 -4.984 1.00 43.43 H new ATOM 0 HG2 LYS A 88 8.406 7.043 -6.580 1.00 14.11 H new ATOM 0 HG3 LYS A 88 6.980 8.025 -6.311 1.00 14.11 H new ATOM 0 HD2 LYS A 88 8.351 8.657 -4.549 1.00 4.12 H new ATOM 0 HD3 LYS A 88 7.294 7.479 -3.797 1.00 4.12 H new ATOM 0 HE2 LYS A 88 9.331 6.843 -2.926 1.00 54.54 H new ATOM 0 HE3 LYS A 88 9.228 5.775 -4.312 1.00 54.54 H new ATOM 0 HZ1 LYS A 88 11.234 6.548 -4.762 1.00 1.40 H new ATOM 0 HZ2 LYS A 88 10.444 7.928 -5.357 1.00 1.40 H new ATOM 0 HZ3 LYS A 88 11.060 7.918 -3.775 1.00 1.40 H new ATOM 1246 N MET A 89 5.760 3.078 -6.713 1.00 73.15 N ATOM 1247 CA MET A 89 4.866 1.957 -6.487 1.00 10.24 C ATOM 1248 C MET A 89 5.669 0.664 -6.286 1.00 12.52 C ATOM 1249 O MET A 89 5.333 -0.110 -5.387 1.00 1.10 O ATOM 1250 CB MET A 89 3.877 1.902 -7.650 1.00 70.31 C ATOM 1251 CG MET A 89 2.845 0.782 -7.516 1.00 23.34 C ATOM 1252 SD MET A 89 1.661 0.752 -8.887 1.00 64.13 S ATOM 1253 CE MET A 89 2.676 -0.003 -10.185 1.00 5.42 C ATOM 0 H MET A 89 5.626 3.547 -7.609 1.00 73.15 H new ATOM 0 HA MET A 89 4.292 2.081 -5.569 1.00 10.24 H new ATOM 0 HB2 MET A 89 3.358 2.858 -7.722 1.00 70.31 H new ATOM 0 HB3 MET A 89 4.429 1.768 -8.581 1.00 70.31 H new ATOM 0 HG2 MET A 89 3.361 -0.177 -7.466 1.00 23.34 H new ATOM 0 HG3 MET A 89 2.304 0.903 -6.577 1.00 23.34 H new ATOM 0 HE1 MET A 89 2.070 -0.157 -11.077 1.00 5.42 H new ATOM 0 HE2 MET A 89 3.511 0.656 -10.423 1.00 5.42 H new ATOM 0 HE3 MET A 89 3.059 -0.962 -9.836 1.00 5.42 H new ATOM 1261 N VAL A 90 6.733 0.444 -7.065 1.00 71.31 N ATOM 1262 CA VAL A 90 7.630 -0.701 -6.920 1.00 41.34 C ATOM 1263 C VAL A 90 8.407 -0.621 -5.602 1.00 3.21 C ATOM 1264 O VAL A 90 8.416 -1.608 -4.864 1.00 22.23 O ATOM 1265 CB VAL A 90 8.562 -0.803 -8.142 1.00 45.35 C ATOM 1266 CG1 VAL A 90 9.632 -1.885 -7.928 1.00 2.22 C ATOM 1267 CG2 VAL A 90 7.768 -1.160 -9.409 1.00 5.33 C ATOM 0 H VAL A 90 6.997 1.069 -7.826 1.00 71.31 H new ATOM 0 HA VAL A 90 7.038 -1.615 -6.882 1.00 41.34 H new ATOM 0 HB VAL A 90 9.038 0.170 -8.263 1.00 45.35 H new ATOM 0 HG11 VAL A 90 10.277 -1.937 -8.805 1.00 2.22 H new ATOM 0 HG12 VAL A 90 10.230 -1.637 -7.051 1.00 2.22 H new ATOM 0 HG13 VAL A 90 9.148 -2.850 -7.776 1.00 2.22 H new ATOM 0 HG21 VAL A 90 8.448 -1.226 -10.258 1.00 5.33 H new ATOM 0 HG22 VAL A 90 7.269 -2.119 -9.268 1.00 5.33 H new ATOM 0 HG23 VAL A 90 7.022 -0.388 -9.601 1.00 5.33 H new ATOM 1277 N GLU A 91 9.005 0.532 -5.274 1.00 13.14 N ATOM 1278 CA GLU A 91 9.757 0.769 -4.030 1.00 50.12 C ATOM 1279 C GLU A 91 8.896 0.604 -2.768 1.00 21.00 C ATOM 1280 O GLU A 91 9.395 0.716 -1.652 1.00 70.15 O ATOM 1281 CB GLU A 91 10.345 2.189 -4.025 1.00 33.13 C ATOM 1282 CG GLU A 91 11.625 2.376 -4.841 1.00 25.32 C ATOM 1283 CD GLU A 91 12.239 3.730 -4.468 1.00 54.25 C ATOM 1284 OE1 GLU A 91 11.759 4.766 -4.977 1.00 65.15 O ATOM 1285 OE2 GLU A 91 13.125 3.780 -3.579 1.00 14.23 O ATOM 0 H GLU A 91 8.979 1.350 -5.883 1.00 13.14 H new ATOM 0 HA GLU A 91 10.546 0.017 -4.007 1.00 50.12 H new ATOM 0 HB2 GLU A 91 9.590 2.877 -4.404 1.00 33.13 H new ATOM 0 HB3 GLU A 91 10.548 2.476 -2.993 1.00 33.13 H new ATOM 0 HG2 GLU A 91 12.329 1.570 -4.634 1.00 25.32 H new ATOM 0 HG3 GLU A 91 11.404 2.340 -5.908 1.00 25.32 H new ATOM 1290 N LEU A 92 7.591 0.376 -2.912 1.00 45.43 N ATOM 1291 CA LEU A 92 6.664 0.142 -1.819 1.00 21.44 C ATOM 1292 C LEU A 92 6.027 -1.234 -1.934 1.00 23.34 C ATOM 1293 O LEU A 92 5.244 -1.615 -1.072 1.00 31.14 O ATOM 1294 CB LEU A 92 5.595 1.242 -1.848 1.00 44.14 C ATOM 1295 CG LEU A 92 6.193 2.644 -1.585 1.00 34.22 C ATOM 1296 CD1 LEU A 92 5.175 3.751 -1.856 1.00 71.24 C ATOM 1297 CD2 LEU A 92 6.760 2.769 -0.172 1.00 45.45 C ATOM 0 H LEU A 92 7.140 0.349 -3.827 1.00 45.43 H new ATOM 0 HA LEU A 92 7.199 0.172 -0.870 1.00 21.44 H new ATOM 0 HB2 LEU A 92 5.097 1.237 -2.818 1.00 44.14 H new ATOM 0 HB3 LEU A 92 4.834 1.027 -1.098 1.00 44.14 H new ATOM 0 HG LEU A 92 7.019 2.765 -2.285 1.00 34.22 H new ATOM 0 HD11 LEU A 92 5.632 4.721 -1.660 1.00 71.24 H new ATOM 0 HD12 LEU A 92 4.855 3.704 -2.897 1.00 71.24 H new ATOM 0 HD13 LEU A 92 4.311 3.618 -1.204 1.00 71.24 H new ATOM 0 HD21 LEU A 92 7.169 3.769 -0.031 1.00 45.45 H new ATOM 0 HD22 LEU A 92 5.967 2.596 0.555 1.00 45.45 H new ATOM 0 HD23 LEU A 92 7.549 2.031 -0.030 1.00 45.45 H new ATOM 1308 N ARG A 93 6.298 -2.000 -2.990 1.00 43.53 N ATOM 1309 CA ARG A 93 5.554 -3.219 -3.278 1.00 62.31 C ATOM 1310 C ARG A 93 6.110 -4.392 -2.493 1.00 44.33 C ATOM 1311 O ARG A 93 5.348 -5.124 -1.854 1.00 73.22 O ATOM 1312 CB ARG A 93 5.568 -3.491 -4.793 1.00 62.12 C ATOM 1313 CG ARG A 93 4.238 -4.107 -5.212 1.00 53.33 C ATOM 1314 CD ARG A 93 3.087 -3.082 -5.202 1.00 52.11 C ATOM 1315 NE ARG A 93 1.801 -3.770 -4.956 1.00 3.20 N ATOM 1316 CZ ARG A 93 1.262 -4.687 -5.780 1.00 13.12 C ATOM 1317 NH1 ARG A 93 1.741 -4.892 -6.997 1.00 62.22 N ATOM 1318 NH2 ARG A 93 0.250 -5.445 -5.388 1.00 12.22 N ATOM 0 H ARG A 93 7.035 -1.793 -3.664 1.00 43.53 H new ATOM 0 HA ARG A 93 4.519 -3.087 -2.964 1.00 62.31 H new ATOM 0 HB2 ARG A 93 5.739 -2.563 -5.338 1.00 62.12 H new ATOM 0 HB3 ARG A 93 6.388 -4.164 -5.045 1.00 62.12 H new ATOM 0 HG2 ARG A 93 4.336 -4.530 -6.212 1.00 53.33 H new ATOM 0 HG3 ARG A 93 3.994 -4.930 -4.540 1.00 53.33 H new ATOM 0 HD2 ARG A 93 3.262 -2.333 -4.429 1.00 52.11 H new ATOM 0 HD3 ARG A 93 3.050 -2.554 -6.155 1.00 52.11 H new ATOM 0 HE ARG A 93 1.289 -3.534 -4.106 1.00 3.20 H new ATOM 0 HH11 ARG A 93 2.537 -4.348 -7.330 1.00 62.22 H new ATOM 0 HH12 ARG A 93 1.314 -5.594 -7.602 1.00 62.22 H new ATOM 0 HH21 ARG A 93 -0.133 -5.339 -4.449 1.00 12.22 H new ATOM 0 HH22 ARG A 93 -0.147 -6.135 -6.025 1.00 12.22 H new ATOM 1329 N ALA A 94 7.430 -4.550 -2.550 1.00 51.11 N ATOM 1330 CA ALA A 94 8.168 -5.551 -1.801 1.00 24.30 C ATOM 1331 C ALA A 94 8.337 -5.088 -0.345 1.00 70.25 C ATOM 1332 O ALA A 94 8.184 -5.856 0.596 1.00 64.02 O ATOM 1333 CB ALA A 94 9.510 -5.761 -2.509 1.00 45.53 C ATOM 0 H ALA A 94 8.028 -3.967 -3.136 1.00 51.11 H new ATOM 0 HA ALA A 94 7.636 -6.502 -1.767 1.00 24.30 H new ATOM 0 HB1 ALA A 94 10.092 -6.509 -1.971 1.00 45.53 H new ATOM 0 HB2 ALA A 94 9.334 -6.103 -3.529 1.00 45.53 H new ATOM 0 HB3 ALA A 94 10.061 -4.821 -2.532 1.00 45.53 H new ATOM 1339 N THR A 95 8.541 -3.794 -0.133 1.00 24.10 N ATOM 1340 CA THR A 95 8.638 -3.219 1.203 1.00 22.03 C ATOM 1341 C THR A 95 7.306 -3.353 1.930 1.00 74.12 C ATOM 1342 O THR A 95 7.309 -3.683 3.107 1.00 72.30 O ATOM 1343 CB THR A 95 9.064 -1.751 1.133 1.00 30.21 C ATOM 1344 OG1 THR A 95 10.040 -1.615 0.122 1.00 12.31 O ATOM 1345 CG2 THR A 95 9.640 -1.262 2.467 1.00 72.23 C ATOM 0 H THR A 95 8.644 -3.112 -0.884 1.00 24.10 H new ATOM 0 HA THR A 95 9.398 -3.767 1.760 1.00 22.03 H new ATOM 0 HB THR A 95 8.186 -1.145 0.911 1.00 30.21 H new ATOM 0 HG1 THR A 95 9.815 -0.851 -0.450 1.00 12.31 H new ATOM 0 HG21 THR A 95 9.931 -0.215 2.376 1.00 72.23 H new ATOM 0 HG22 THR A 95 8.886 -1.363 3.248 1.00 72.23 H new ATOM 0 HG23 THR A 95 10.514 -1.860 2.727 1.00 72.23 H new ATOM 1353 N ALA A 96 6.157 -3.184 1.253 1.00 33.44 N ATOM 1354 CA ALA A 96 4.873 -3.458 1.885 1.00 62.12 C ATOM 1355 C ALA A 96 4.793 -4.918 2.345 1.00 5.55 C ATOM 1356 O ALA A 96 4.248 -5.199 3.411 1.00 32.33 O ATOM 1357 CB ALA A 96 3.701 -3.116 0.966 1.00 72.34 C ATOM 0 H ALA A 96 6.099 -2.865 0.286 1.00 33.44 H new ATOM 0 HA ALA A 96 4.799 -2.814 2.761 1.00 62.12 H new ATOM 0 HB1 ALA A 96 2.763 -3.335 1.476 1.00 72.34 H new ATOM 0 HB2 ALA A 96 3.736 -2.057 0.710 1.00 72.34 H new ATOM 0 HB3 ALA A 96 3.767 -3.711 0.055 1.00 72.34 H new ATOM 1363 N ARG A 97 5.320 -5.844 1.544 1.00 1.51 N ATOM 1364 CA ARG A 97 5.318 -7.263 1.859 1.00 3.51 C ATOM 1365 C ARG A 97 6.105 -7.530 3.133 1.00 24.22 C ATOM 1366 O ARG A 97 5.616 -8.273 3.966 1.00 11.34 O ATOM 1367 CB ARG A 97 5.849 -8.051 0.651 1.00 34.04 C ATOM 1368 CG ARG A 97 4.690 -8.386 -0.287 1.00 22.01 C ATOM 1369 CD ARG A 97 5.139 -8.631 -1.727 1.00 34.04 C ATOM 1370 NE ARG A 97 3.985 -9.019 -2.545 1.00 12.13 N ATOM 1371 CZ ARG A 97 2.981 -8.227 -2.931 1.00 73.25 C ATOM 1372 NH1 ARG A 97 3.024 -6.913 -2.704 1.00 71.31 N ATOM 1373 NH2 ARG A 97 1.914 -8.756 -3.521 1.00 24.02 N ATOM 0 H ARG A 97 5.763 -5.623 0.652 1.00 1.51 H new ATOM 0 HA ARG A 97 4.300 -7.602 2.053 1.00 3.51 H new ATOM 0 HB2 ARG A 97 6.601 -7.465 0.123 1.00 34.04 H new ATOM 0 HB3 ARG A 97 6.336 -8.967 0.986 1.00 34.04 H new ATOM 0 HG2 ARG A 97 4.175 -9.273 0.083 1.00 22.01 H new ATOM 0 HG3 ARG A 97 3.969 -7.569 -0.271 1.00 22.01 H new ATOM 0 HD2 ARG A 97 5.598 -7.730 -2.133 1.00 34.04 H new ATOM 0 HD3 ARG A 97 5.896 -9.415 -1.754 1.00 34.04 H new ATOM 0 HE ARG A 97 3.945 -9.992 -2.850 1.00 12.13 H new ATOM 0 HH11 ARG A 97 3.830 -6.503 -2.231 1.00 71.31 H new ATOM 0 HH12 ARG A 97 2.251 -6.318 -3.003 1.00 71.31 H new ATOM 0 HH21 ARG A 97 1.864 -9.763 -3.677 1.00 24.02 H new ATOM 0 HH22 ARG A 97 1.145 -8.155 -3.817 1.00 24.02 H new ATOM 1384 N GLU A 98 7.260 -6.916 3.344 1.00 13.23 N ATOM 1385 CA GLU A 98 7.938 -6.934 4.632 1.00 13.31 C ATOM 1386 C GLU A 98 7.045 -6.276 5.698 1.00 71.31 C ATOM 1387 O GLU A 98 6.682 -6.907 6.694 1.00 71.43 O ATOM 1388 CB GLU A 98 9.270 -6.189 4.465 1.00 23.51 C ATOM 1389 CG GLU A 98 10.376 -7.036 3.830 1.00 74.51 C ATOM 1390 CD GLU A 98 10.977 -8.034 4.822 1.00 42.31 C ATOM 1391 OE1 GLU A 98 10.443 -9.159 4.938 1.00 3.25 O ATOM 1392 OE2 GLU A 98 12.006 -7.707 5.465 1.00 34.44 O ATOM 0 H GLU A 98 7.755 -6.389 2.624 1.00 13.23 H new ATOM 0 HA GLU A 98 8.135 -7.954 4.963 1.00 13.31 H new ATOM 0 HB2 GLU A 98 9.106 -5.303 3.851 1.00 23.51 H new ATOM 0 HB3 GLU A 98 9.607 -5.842 5.442 1.00 23.51 H new ATOM 0 HG2 GLU A 98 9.972 -7.575 2.973 1.00 74.51 H new ATOM 0 HG3 GLU A 98 11.162 -6.382 3.453 1.00 74.51 H new ATOM 1397 N GLN A 99 6.674 -5.015 5.472 1.00 5.11 N ATOM 1398 CA GLN A 99 6.080 -4.091 6.430 1.00 31.13 C ATOM 1399 C GLN A 99 4.970 -4.706 7.268 1.00 62.14 C ATOM 1400 O GLN A 99 4.924 -4.445 8.456 1.00 14.04 O ATOM 1401 CB GLN A 99 5.522 -2.857 5.698 1.00 33.05 C ATOM 1402 CG GLN A 99 6.403 -1.623 5.825 1.00 14.21 C ATOM 1403 CD GLN A 99 5.737 -0.378 5.246 1.00 13.44 C ATOM 1404 OE1 GLN A 99 4.518 -0.224 5.236 1.00 70.34 O ATOM 1405 NE2 GLN A 99 6.528 0.571 4.781 1.00 24.22 N ATOM 0 H GLN A 99 6.790 -4.587 4.553 1.00 5.11 H new ATOM 0 HA GLN A 99 6.883 -3.813 7.112 1.00 31.13 H new ATOM 0 HB2 GLN A 99 5.397 -3.097 4.642 1.00 33.05 H new ATOM 0 HB3 GLN A 99 4.532 -2.628 6.092 1.00 33.05 H new ATOM 0 HG2 GLN A 99 6.637 -1.452 6.876 1.00 14.21 H new ATOM 0 HG3 GLN A 99 7.349 -1.799 5.312 1.00 14.21 H new ATOM 0 HE21 GLN A 99 7.540 0.442 4.790 1.00 24.22 H new ATOM 0 HE22 GLN A 99 6.127 1.434 4.413 1.00 24.22 H new ATOM 1412 N ILE A 100 4.068 -5.491 6.678 1.00 43.02 N ATOM 1413 CA ILE A 100 2.898 -6.041 7.363 1.00 33.54 C ATOM 1414 C ILE A 100 3.268 -6.736 8.673 1.00 13.43 C ATOM 1415 O ILE A 100 2.575 -6.513 9.665 1.00 3.11 O ATOM 1416 CB ILE A 100 2.176 -6.981 6.383 1.00 72.41 C ATOM 1417 CG1 ILE A 100 1.475 -6.208 5.238 1.00 22.01 C ATOM 1418 CG2 ILE A 100 1.145 -7.929 7.011 1.00 14.21 C ATOM 1419 CD1 ILE A 100 0.519 -5.088 5.689 1.00 52.43 C ATOM 0 H ILE A 100 4.130 -5.766 5.698 1.00 43.02 H new ATOM 0 HA ILE A 100 2.227 -5.232 7.654 1.00 33.54 H new ATOM 0 HB ILE A 100 2.992 -7.595 6.000 1.00 72.41 H new ATOM 0 HG12 ILE A 100 2.240 -5.773 4.594 1.00 22.01 H new ATOM 0 HG13 ILE A 100 0.914 -6.919 4.632 1.00 22.01 H new ATOM 0 HG21 ILE A 100 0.696 -8.546 6.232 1.00 14.21 H new ATOM 0 HG22 ILE A 100 1.638 -8.569 7.743 1.00 14.21 H new ATOM 0 HG23 ILE A 100 0.368 -7.346 7.505 1.00 14.21 H new ATOM 0 HD11 ILE A 100 0.080 -4.609 4.813 1.00 52.43 H new ATOM 0 HD12 ILE A 100 -0.273 -5.512 6.306 1.00 52.43 H new ATOM 0 HD13 ILE A 100 1.072 -4.348 6.268 1.00 52.43 H new ATOM 1430 N ILE A 101 4.338 -7.535 8.696 1.00 22.11 N ATOM 1431 CA ILE A 101 4.801 -8.234 9.890 1.00 32.25 C ATOM 1432 C ILE A 101 5.208 -7.244 10.977 1.00 2.23 C ATOM 1433 O ILE A 101 5.074 -7.529 12.166 1.00 44.04 O ATOM 1434 CB ILE A 101 5.975 -9.152 9.509 1.00 2.03 C ATOM 1435 CG1 ILE A 101 5.577 -10.173 8.428 1.00 51.01 C ATOM 1436 CG2 ILE A 101 6.575 -9.841 10.736 1.00 31.15 C ATOM 1437 CD1 ILE A 101 4.245 -10.902 8.605 1.00 52.24 C ATOM 0 H ILE A 101 4.913 -7.715 7.873 1.00 22.11 H new ATOM 0 HA ILE A 101 3.989 -8.839 10.293 1.00 32.25 H new ATOM 0 HB ILE A 101 6.750 -8.516 9.081 1.00 2.03 H new ATOM 0 HG12 ILE A 101 5.553 -9.656 7.469 1.00 51.01 H new ATOM 0 HG13 ILE A 101 6.366 -10.923 8.366 1.00 51.01 H new ATOM 0 HG21 ILE A 101 7.401 -10.481 10.426 1.00 31.15 H new ATOM 0 HG22 ILE A 101 6.941 -9.088 11.434 1.00 31.15 H new ATOM 0 HG23 ILE A 101 5.811 -10.446 11.224 1.00 31.15 H new ATOM 0 HD11 ILE A 101 4.093 -11.589 7.773 1.00 52.24 H new ATOM 0 HD12 ILE A 101 4.258 -11.462 9.540 1.00 52.24 H new ATOM 0 HD13 ILE A 101 3.433 -10.175 8.629 1.00 52.24 H new ATOM 1448 N SER A 102 5.698 -6.085 10.560 1.00 42.11 N ATOM 1449 CA SER A 102 6.127 -5.011 11.445 1.00 41.44 C ATOM 1450 C SER A 102 4.915 -4.280 12.062 1.00 64.41 C ATOM 1451 O SER A 102 5.093 -3.523 13.013 1.00 23.55 O ATOM 1452 CB SER A 102 7.053 -4.077 10.649 1.00 21.24 C ATOM 1453 OG SER A 102 7.940 -3.320 11.459 1.00 65.52 O ATOM 0 H SER A 102 5.811 -5.860 9.572 1.00 42.11 H new ATOM 0 HA SER A 102 6.684 -5.412 12.292 1.00 41.44 H new ATOM 0 HB2 SER A 102 7.636 -4.672 9.946 1.00 21.24 H new ATOM 0 HB3 SER A 102 6.443 -3.394 10.058 1.00 21.24 H new ATOM 0 HG SER A 102 8.498 -2.751 10.889 1.00 65.52 H new ATOM 1458 N GLU A 103 3.686 -4.526 11.591 1.00 34.44 N ATOM 1459 CA GLU A 103 2.448 -3.967 12.141 1.00 40.40 C ATOM 1460 C GLU A 103 1.717 -5.002 13.021 1.00 61.40 C ATOM 1461 O GLU A 103 0.662 -4.703 13.598 1.00 73.41 O ATOM 1462 CB GLU A 103 1.480 -3.557 11.011 1.00 54.33 C ATOM 1463 CG GLU A 103 2.065 -3.025 9.698 1.00 23.43 C ATOM 1464 CD GLU A 103 2.564 -1.571 9.712 1.00 62.30 C ATOM 1465 OE1 GLU A 103 1.706 -0.654 9.707 1.00 43.11 O ATOM 1466 OE2 GLU A 103 3.788 -1.335 9.621 1.00 32.21 O ATOM 0 H GLU A 103 3.522 -5.139 10.792 1.00 34.44 H new ATOM 0 HA GLU A 103 2.731 -3.098 12.734 1.00 40.40 H new ATOM 0 HB2 GLU A 103 0.865 -4.425 10.771 1.00 54.33 H new ATOM 0 HB3 GLU A 103 0.812 -2.793 11.409 1.00 54.33 H new ATOM 0 HG2 GLU A 103 2.896 -3.669 9.408 1.00 23.43 H new ATOM 0 HG3 GLU A 103 1.305 -3.118 8.923 1.00 23.43 H new ATOM 1471 N ILE A 104 2.178 -6.257 13.019 1.00 3.11 N ATOM 1472 CA ILE A 104 1.647 -7.344 13.866 1.00 63.31 C ATOM 1473 C ILE A 104 1.896 -7.021 15.336 1.00 62.42 C ATOM 1474 O ILE A 104 1.003 -7.348 16.147 1.00 44.40 O ATOM 1475 CB ILE A 104 2.202 -8.726 13.434 1.00 30.55 C ATOM 1476 CG1 ILE A 104 1.723 -9.025 11.997 1.00 32.55 C ATOM 1477 CG2 ILE A 104 1.782 -9.868 14.382 1.00 33.41 C ATOM 1478 CD1 ILE A 104 2.128 -10.392 11.441 1.00 12.03 C ATOM 0 H ILE A 104 2.946 -6.557 12.419 1.00 3.11 H new ATOM 0 HA ILE A 104 0.568 -7.413 13.729 1.00 63.31 H new ATOM 0 HB ILE A 104 3.290 -8.676 13.477 1.00 30.55 H new ATOM 0 HG12 ILE A 104 0.636 -8.949 11.971 1.00 32.55 H new ATOM 0 HG13 ILE A 104 2.112 -8.252 11.334 1.00 32.55 H new ATOM 0 HG21 ILE A 104 2.201 -10.809 14.026 1.00 33.41 H new ATOM 0 HG22 ILE A 104 2.153 -9.662 15.386 1.00 33.41 H new ATOM 0 HG23 ILE A 104 0.695 -9.941 14.404 1.00 33.41 H new ATOM 0 HD11 ILE A 104 1.742 -10.501 10.427 1.00 12.03 H new ATOM 0 HD12 ILE A 104 3.215 -10.471 11.426 1.00 12.03 H new ATOM 0 HD13 ILE A 104 1.716 -11.179 12.073 1.00 12.03 H new TER 1489 ILE A 104