USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 46 ASN : amide:sc= 0.0193 K(o=0.13,f=-1.2) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.114 K(o=0.13,f=-1.2) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.0327 USER MOD Set 2.2: A 17 GLN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0 (180deg=-0.0141) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 34 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 56 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= 0.741 (180deg=0.0271) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000273) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0.0288 (180deg=0.0288) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.377 5.382 -8.422 1.00 0.00 N ATOM 2 CA GLY A 1 24.247 4.242 -8.796 1.00 0.00 C ATOM 3 C GLY A 1 24.122 3.948 -10.262 1.00 0.00 C ATOM 4 O GLY A 1 23.334 3.073 -10.616 1.00 0.00 O ATOM 0 H1 GLY A 1 23.632 5.716 -7.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.505 6.155 -9.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.383 5.076 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.284 4.472 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.971 3.361 -8.217 1.00 0.00 H new ATOM 10 N PRO A 2 24.851 4.618 -11.159 1.00 0.00 N ATOM 11 CA PRO A 2 24.785 4.363 -12.591 1.00 0.00 C ATOM 12 C PRO A 2 25.594 3.140 -12.952 1.00 0.00 C ATOM 13 O PRO A 2 25.491 2.689 -14.093 1.00 0.00 O ATOM 14 CB PRO A 2 25.405 5.619 -13.222 1.00 0.00 C ATOM 15 CG PRO A 2 26.392 6.130 -12.167 1.00 0.00 C ATOM 16 CD PRO A 2 25.697 5.775 -10.850 1.00 0.00 C ATOM 0 HA PRO A 2 23.768 4.174 -12.936 1.00 0.00 H new ATOM 0 HB2 PRO A 2 25.911 5.384 -14.158 1.00 0.00 H new ATOM 0 HB3 PRO A 2 24.644 6.366 -13.449 1.00 0.00 H new ATOM 0 HG2 PRO A 2 27.364 5.645 -12.255 1.00 0.00 H new ATOM 0 HG3 PRO A 2 26.562 7.203 -12.258 1.00 0.00 H new ATOM 0 HD2 PRO A 2 26.424 5.535 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 2 25.102 6.610 -10.482 1.00 0.00 H new ATOM 24 N MET A 3 26.407 2.609 -12.006 1.00 0.00 N ATOM 25 CA MET A 3 27.212 1.425 -12.195 1.00 0.00 C ATOM 26 C MET A 3 26.685 0.359 -11.275 1.00 0.00 C ATOM 27 O MET A 3 27.381 -0.602 -10.951 1.00 0.00 O ATOM 28 CB MET A 3 28.705 1.678 -11.868 1.00 0.00 C ATOM 29 CG MET A 3 29.324 2.846 -12.661 1.00 0.00 C ATOM 30 SD MET A 3 29.213 2.672 -14.470 1.00 0.00 S ATOM 31 CE MET A 3 29.881 4.321 -14.836 1.00 0.00 C ATOM 0 H MET A 3 26.508 3.018 -11.077 1.00 0.00 H new ATOM 0 HA MET A 3 27.151 1.124 -13.241 1.00 0.00 H new ATOM 0 HB2 MET A 3 28.805 1.881 -10.802 1.00 0.00 H new ATOM 0 HB3 MET A 3 29.272 0.770 -12.074 1.00 0.00 H new ATOM 0 HG2 MET A 3 28.829 3.771 -12.366 1.00 0.00 H new ATOM 0 HG3 MET A 3 30.373 2.943 -12.382 1.00 0.00 H new ATOM 0 HE1 MET A 3 29.917 4.467 -15.916 1.00 0.00 H new ATOM 0 HE2 MET A 3 29.240 5.081 -14.388 1.00 0.00 H new ATOM 0 HE3 MET A 3 30.887 4.406 -14.424 1.00 0.00 H new ATOM 41 N ALA A 4 25.415 0.519 -10.851 1.00 0.00 N ATOM 42 CA ALA A 4 24.725 -0.403 -9.994 1.00 0.00 C ATOM 43 C ALA A 4 23.306 -0.401 -10.485 1.00 0.00 C ATOM 44 O ALA A 4 23.041 -0.046 -11.634 1.00 0.00 O ATOM 45 CB ALA A 4 24.779 0.021 -8.510 1.00 0.00 C ATOM 0 H ALA A 4 24.845 1.323 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 4 25.186 -1.390 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 4 24.243 -0.709 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 4 25.818 0.071 -8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 4 24.315 1.000 -8.394 1.00 0.00 H new ATOM 51 N SER A 5 22.355 -0.808 -9.613 1.00 0.00 N ATOM 52 CA SER A 5 20.946 -0.823 -9.915 1.00 0.00 C ATOM 53 C SER A 5 20.354 0.461 -9.406 1.00 0.00 C ATOM 54 O SER A 5 20.990 1.201 -8.655 1.00 0.00 O ATOM 55 CB SER A 5 20.201 -2.003 -9.249 1.00 0.00 C ATOM 56 OG SER A 5 20.725 -3.241 -9.708 1.00 0.00 O ATOM 0 H SER A 5 22.571 -1.136 -8.672 1.00 0.00 H new ATOM 0 HA SER A 5 20.834 -0.935 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.299 -1.938 -8.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.137 -1.944 -9.477 1.00 0.00 H new ATOM 0 HG SER A 5 20.245 -3.979 -9.277 1.00 0.00 H new ATOM 62 N ASP A 6 19.104 0.749 -9.830 1.00 0.00 N ATOM 63 CA ASP A 6 18.372 1.906 -9.392 1.00 0.00 C ATOM 64 C ASP A 6 16.938 1.464 -9.354 1.00 0.00 C ATOM 65 O ASP A 6 16.527 0.582 -10.110 1.00 0.00 O ATOM 66 CB ASP A 6 18.543 3.116 -10.352 1.00 0.00 C ATOM 67 CG ASP A 6 17.955 4.409 -9.776 1.00 0.00 C ATOM 68 OD1 ASP A 6 18.420 4.835 -8.686 1.00 0.00 O ATOM 69 OD2 ASP A 6 17.037 4.983 -10.422 1.00 0.00 O ATOM 0 H ASP A 6 18.591 0.166 -10.491 1.00 0.00 H new ATOM 0 HA ASP A 6 18.735 2.252 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.603 3.264 -10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 6 18.059 2.893 -11.303 1.00 0.00 H new ATOM 74 N LYS A 7 16.144 2.082 -8.451 1.00 0.00 N ATOM 75 CA LYS A 7 14.740 1.808 -8.301 1.00 0.00 C ATOM 76 C LYS A 7 14.003 2.774 -9.181 1.00 0.00 C ATOM 77 O LYS A 7 14.315 3.965 -9.198 1.00 0.00 O ATOM 78 CB LYS A 7 14.237 2.005 -6.855 1.00 0.00 C ATOM 79 CG LYS A 7 14.917 1.080 -5.832 1.00 0.00 C ATOM 80 CD LYS A 7 14.372 1.288 -4.410 1.00 0.00 C ATOM 81 CE LYS A 7 15.030 0.382 -3.364 1.00 0.00 C ATOM 82 NZ LYS A 7 14.456 0.627 -2.020 1.00 0.00 N ATOM 0 H LYS A 7 16.489 2.793 -7.806 1.00 0.00 H new ATOM 0 HA LYS A 7 14.568 0.765 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.402 3.041 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.161 1.833 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.768 0.042 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.992 1.262 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.519 2.329 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.297 1.107 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.888 -0.663 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.105 0.563 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.916 0.003 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.614 1.619 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.435 0.431 -2.038 1.00 0.00 H new ATOM 96 N ARG A 8 13.012 2.263 -9.946 1.00 0.00 N ATOM 97 CA ARG A 8 12.218 3.048 -10.858 1.00 0.00 C ATOM 98 C ARG A 8 10.785 2.865 -10.425 1.00 0.00 C ATOM 99 O ARG A 8 10.443 1.753 -10.029 1.00 0.00 O ATOM 100 CB ARG A 8 12.347 2.561 -12.317 1.00 0.00 C ATOM 101 CG ARG A 8 13.749 2.796 -12.906 1.00 0.00 C ATOM 102 CD ARG A 8 13.953 2.192 -14.304 1.00 0.00 C ATOM 103 NE ARG A 8 12.949 2.783 -15.250 1.00 0.00 N ATOM 104 CZ ARG A 8 12.874 2.415 -16.565 1.00 0.00 C ATOM 105 NH1 ARG A 8 13.741 1.500 -17.089 1.00 0.00 N ATOM 106 NH2 ARG A 8 11.915 2.969 -17.362 1.00 0.00 N ATOM 0 H ARG A 8 12.754 1.276 -9.931 1.00 0.00 H new ATOM 0 HA ARG A 8 12.552 4.085 -10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.114 1.497 -12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.609 3.075 -12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.935 3.869 -12.955 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.491 2.374 -12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.965 2.394 -14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.839 1.109 -14.265 1.00 0.00 H new ATOM 0 HE ARG A 8 12.298 3.486 -14.899 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.458 1.080 -16.498 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.672 1.236 -18.072 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.262 3.651 -16.976 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.851 2.701 -18.344 1.00 0.00 H new ATOM 120 N PRO A 9 9.914 3.879 -10.458 1.00 0.00 N ATOM 121 CA PRO A 9 8.510 3.745 -10.101 1.00 0.00 C ATOM 122 C PRO A 9 7.737 3.131 -11.250 1.00 0.00 C ATOM 123 O PRO A 9 7.246 3.860 -12.112 1.00 0.00 O ATOM 124 CB PRO A 9 8.062 5.188 -9.820 1.00 0.00 C ATOM 125 CG PRO A 9 8.969 6.062 -10.697 1.00 0.00 C ATOM 126 CD PRO A 9 10.276 5.268 -10.752 1.00 0.00 C ATOM 0 HA PRO A 9 8.340 3.092 -9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.011 5.332 -10.072 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.173 5.438 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.546 6.210 -11.691 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.117 7.051 -10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.742 5.351 -11.734 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.994 5.647 -10.025 1.00 0.00 H new ATOM 134 N ARG A 10 7.623 1.785 -11.269 1.00 0.00 N ATOM 135 CA ARG A 10 6.924 1.047 -12.287 1.00 0.00 C ATOM 136 C ARG A 10 6.042 0.119 -11.505 1.00 0.00 C ATOM 137 O ARG A 10 5.118 0.569 -10.828 1.00 0.00 O ATOM 138 CB ARG A 10 7.893 0.267 -13.211 1.00 0.00 C ATOM 139 CG ARG A 10 8.769 1.188 -14.080 1.00 0.00 C ATOM 140 CD ARG A 10 9.770 0.432 -14.965 1.00 0.00 C ATOM 141 NE ARG A 10 10.767 -0.257 -14.081 1.00 0.00 N ATOM 142 CZ ARG A 10 11.788 -1.019 -14.574 1.00 0.00 C ATOM 143 NH1 ARG A 10 11.941 -1.209 -15.917 1.00 0.00 N ATOM 144 NH2 ARG A 10 12.672 -1.597 -13.706 1.00 0.00 N ATOM 0 H ARG A 10 8.032 1.188 -10.550 1.00 0.00 H new ATOM 0 HA ARG A 10 6.366 1.696 -12.962 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.536 -0.367 -12.601 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.316 -0.393 -13.859 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.124 1.796 -14.714 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.316 1.873 -13.432 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.250 -0.296 -15.587 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.276 1.123 -15.639 1.00 0.00 H new ATOM 0 HE ARG A 10 10.679 -0.152 -13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.287 -0.779 -16.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.709 -1.781 -16.267 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.565 -1.457 -12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.438 -2.168 -14.063 1.00 0.00 H new ATOM 158 N THR A 11 6.342 -1.204 -11.545 1.00 0.00 N ATOM 159 CA THR A 11 5.786 -2.197 -10.654 1.00 0.00 C ATOM 160 C THR A 11 6.564 -2.084 -9.378 1.00 0.00 C ATOM 161 O THR A 11 6.004 -2.086 -8.282 1.00 0.00 O ATOM 162 CB THR A 11 5.921 -3.613 -11.190 1.00 0.00 C ATOM 163 OG1 THR A 11 5.148 -3.751 -12.375 1.00 0.00 O ATOM 164 CG2 THR A 11 5.440 -4.642 -10.139 1.00 0.00 C ATOM 0 H THR A 11 6.996 -1.597 -12.222 1.00 0.00 H new ATOM 0 HA THR A 11 4.719 -2.015 -10.527 1.00 0.00 H new ATOM 0 HB THR A 11 6.972 -3.802 -11.411 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.238 -4.664 -12.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.545 -5.649 -10.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.042 -4.548 -9.236 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.394 -4.454 -9.898 1.00 0.00 H new ATOM 172 N ALA A 12 7.900 -1.957 -9.531 1.00 0.00 N ATOM 173 CA ALA A 12 8.835 -1.834 -8.449 1.00 0.00 C ATOM 174 C ALA A 12 8.641 -0.511 -7.773 1.00 0.00 C ATOM 175 O ALA A 12 8.392 0.508 -8.413 1.00 0.00 O ATOM 176 CB ALA A 12 10.301 -1.927 -8.913 1.00 0.00 C ATOM 0 H ALA A 12 8.346 -1.939 -10.448 1.00 0.00 H new ATOM 0 HA ALA A 12 8.643 -2.664 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.962 -1.827 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.471 -2.892 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.509 -1.128 -9.625 1.00 0.00 H new ATOM 182 N PHE A 13 8.730 -0.532 -6.430 1.00 0.00 N ATOM 183 CA PHE A 13 8.570 0.628 -5.595 1.00 0.00 C ATOM 184 C PHE A 13 9.909 1.303 -5.518 1.00 0.00 C ATOM 185 O PHE A 13 10.939 0.716 -5.850 1.00 0.00 O ATOM 186 CB PHE A 13 8.127 0.298 -4.147 1.00 0.00 C ATOM 187 CG PHE A 13 6.808 -0.435 -4.143 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.718 -1.814 -4.419 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.627 0.272 -3.868 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.472 -2.454 -4.474 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.387 -0.370 -3.901 1.00 0.00 C ATOM 192 CZ PHE A 13 4.303 -1.727 -4.220 1.00 0.00 C ATOM 0 H PHE A 13 8.920 -1.385 -5.903 1.00 0.00 H new ATOM 0 HA PHE A 13 7.790 1.248 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.888 -0.311 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.038 1.219 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.619 -2.384 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.678 1.324 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.414 -3.506 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.488 0.186 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.340 -2.214 -4.271 1.00 0.00 H new ATOM 202 N THR A 14 9.900 2.573 -5.066 1.00 0.00 N ATOM 203 CA THR A 14 11.084 3.356 -4.810 1.00 0.00 C ATOM 204 C THR A 14 11.121 3.527 -3.318 1.00 0.00 C ATOM 205 O THR A 14 10.279 2.987 -2.609 1.00 0.00 O ATOM 206 CB THR A 14 11.138 4.695 -5.544 1.00 0.00 C ATOM 207 OG1 THR A 14 10.063 5.561 -5.196 1.00 0.00 O ATOM 208 CG2 THR A 14 11.118 4.449 -7.065 1.00 0.00 C ATOM 0 H THR A 14 9.036 3.079 -4.870 1.00 0.00 H new ATOM 0 HA THR A 14 11.962 2.840 -5.197 1.00 0.00 H new ATOM 0 HB THR A 14 12.063 5.187 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.147 6.402 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.156 5.404 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.981 3.845 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.203 3.923 -7.337 1.00 0.00 H new ATOM 216 N ALA A 15 12.099 4.301 -2.798 1.00 0.00 N ATOM 217 CA ALA A 15 12.251 4.556 -1.383 1.00 0.00 C ATOM 218 C ALA A 15 11.146 5.452 -0.884 1.00 0.00 C ATOM 219 O ALA A 15 10.724 5.345 0.266 1.00 0.00 O ATOM 220 CB ALA A 15 13.595 5.239 -1.070 1.00 0.00 C ATOM 0 H ALA A 15 12.804 4.763 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 15 12.212 3.588 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.673 5.414 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.414 4.596 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.651 6.191 -1.598 1.00 0.00 H new ATOM 226 N GLU A 16 10.646 6.343 -1.773 1.00 0.00 N ATOM 227 CA GLU A 16 9.616 7.311 -1.508 1.00 0.00 C ATOM 228 C GLU A 16 8.252 6.677 -1.473 1.00 0.00 C ATOM 229 O GLU A 16 7.339 7.198 -0.835 1.00 0.00 O ATOM 230 CB GLU A 16 9.591 8.387 -2.615 1.00 0.00 C ATOM 231 CG GLU A 16 10.914 9.164 -2.726 1.00 0.00 C ATOM 232 CD GLU A 16 10.796 10.219 -3.825 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.613 9.826 -5.007 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.889 11.432 -3.497 1.00 0.00 O ATOM 0 H GLU A 16 10.983 6.388 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 16 9.844 7.751 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.374 7.912 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.780 9.087 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.149 9.640 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.732 8.480 -2.951 1.00 0.00 H new ATOM 241 N GLN A 17 8.085 5.532 -2.172 1.00 0.00 N ATOM 242 CA GLN A 17 6.814 4.865 -2.299 1.00 0.00 C ATOM 243 C GLN A 17 6.626 3.945 -1.126 1.00 0.00 C ATOM 244 O GLN A 17 5.586 3.997 -0.473 1.00 0.00 O ATOM 245 CB GLN A 17 6.680 4.120 -3.648 1.00 0.00 C ATOM 246 CG GLN A 17 6.663 5.106 -4.831 1.00 0.00 C ATOM 247 CD GLN A 17 6.526 4.372 -6.172 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.459 3.693 -6.613 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.344 4.535 -6.840 1.00 0.00 N ATOM 0 H GLN A 17 8.846 5.059 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 17 6.020 5.612 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.509 3.422 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.764 3.529 -3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.836 5.805 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.581 5.694 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.603 5.106 -6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.203 4.085 -7.745 1.00 0.00 H new ATOM 258 N LEU A 18 7.659 3.126 -0.801 1.00 0.00 N ATOM 259 CA LEU A 18 7.704 2.213 0.321 1.00 0.00 C ATOM 260 C LEU A 18 7.358 2.866 1.638 1.00 0.00 C ATOM 261 O LEU A 18 6.515 2.352 2.371 1.00 0.00 O ATOM 262 CB LEU A 18 9.118 1.603 0.488 1.00 0.00 C ATOM 263 CG LEU A 18 9.541 0.607 -0.617 1.00 0.00 C ATOM 264 CD1 LEU A 18 11.052 0.317 -0.553 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.727 -0.696 -0.587 1.00 0.00 C ATOM 0 H LEU A 18 8.515 3.099 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 18 6.961 1.451 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.845 2.415 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.165 1.094 1.451 1.00 0.00 H new ATOM 0 HG LEU A 18 9.322 1.089 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.321 -0.386 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.607 1.245 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.299 -0.114 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.068 -1.356 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.864 -1.189 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.671 -0.469 -0.731 1.00 0.00 H new ATOM 277 N GLN A 19 8.007 4.017 1.956 1.00 0.00 N ATOM 278 CA GLN A 19 7.958 4.665 3.251 1.00 0.00 C ATOM 279 C GLN A 19 6.585 5.128 3.645 1.00 0.00 C ATOM 280 O GLN A 19 6.208 5.052 4.814 1.00 0.00 O ATOM 281 CB GLN A 19 8.975 5.829 3.378 1.00 0.00 C ATOM 282 CG GLN A 19 8.840 7.014 2.395 1.00 0.00 C ATOM 283 CD GLN A 19 7.851 8.087 2.876 1.00 0.00 C ATOM 284 OE1 GLN A 19 7.559 8.211 4.071 1.00 0.00 O ATOM 285 NE2 GLN A 19 7.338 8.896 1.898 1.00 0.00 N ATOM 0 H GLN A 19 8.590 4.517 1.284 1.00 0.00 H new ATOM 0 HA GLN A 19 8.245 3.883 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.906 6.225 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.976 5.413 3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.819 7.470 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.515 6.638 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.609 8.755 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.685 9.640 2.142 1.00 0.00 H new ATOM 294 N ARG A 20 5.804 5.603 2.655 1.00 0.00 N ATOM 295 CA ARG A 20 4.477 6.123 2.856 1.00 0.00 C ATOM 296 C ARG A 20 3.495 5.008 3.107 1.00 0.00 C ATOM 297 O ARG A 20 2.588 5.155 3.921 1.00 0.00 O ATOM 298 CB ARG A 20 3.989 6.951 1.649 1.00 0.00 C ATOM 299 CG ARG A 20 2.806 7.861 2.013 1.00 0.00 C ATOM 300 CD ARG A 20 2.161 8.568 0.813 1.00 0.00 C ATOM 301 NE ARG A 20 1.569 7.545 -0.112 1.00 0.00 N ATOM 302 CZ ARG A 20 0.395 6.885 0.128 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.389 7.185 1.203 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.002 5.906 -0.738 1.00 0.00 N ATOM 0 H ARG A 20 6.103 5.627 1.680 1.00 0.00 H new ATOM 0 HA ARG A 20 4.530 6.775 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.811 7.559 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.694 6.278 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.047 7.265 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.147 8.614 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.387 9.255 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.906 9.164 0.285 1.00 0.00 H new ATOM 0 HE ARG A 20 2.073 7.329 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.105 7.918 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.260 6.676 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.580 5.678 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.870 5.402 -0.577 1.00 0.00 H new ATOM 318 N LEU A 21 3.671 3.851 2.422 1.00 0.00 N ATOM 319 CA LEU A 21 2.800 2.696 2.537 1.00 0.00 C ATOM 320 C LEU A 21 2.942 1.994 3.859 1.00 0.00 C ATOM 321 O LEU A 21 2.042 1.270 4.270 1.00 0.00 O ATOM 322 CB LEU A 21 3.103 1.634 1.462 1.00 0.00 C ATOM 323 CG LEU A 21 2.896 2.144 0.026 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.578 1.220 -0.994 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.408 2.363 -0.314 1.00 0.00 C ATOM 0 H LEU A 21 4.441 3.710 1.768 1.00 0.00 H new ATOM 0 HA LEU A 21 1.795 3.102 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.133 1.297 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.464 0.767 1.628 1.00 0.00 H new ATOM 0 HG LEU A 21 3.374 3.122 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.415 1.606 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.648 1.180 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.156 0.218 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.318 2.723 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.869 1.421 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.984 3.100 0.368 1.00 0.00 H new ATOM 337 N LYS A 22 4.085 2.197 4.553 1.00 0.00 N ATOM 338 CA LYS A 22 4.361 1.632 5.855 1.00 0.00 C ATOM 339 C LYS A 22 3.668 2.427 6.927 1.00 0.00 C ATOM 340 O LYS A 22 3.439 1.919 8.023 1.00 0.00 O ATOM 341 CB LYS A 22 5.879 1.605 6.131 1.00 0.00 C ATOM 342 CG LYS A 22 6.589 0.573 5.243 1.00 0.00 C ATOM 343 CD LYS A 22 8.046 0.915 4.908 1.00 0.00 C ATOM 344 CE LYS A 22 8.980 0.947 6.123 1.00 0.00 C ATOM 345 NZ LYS A 22 10.366 1.268 5.709 1.00 0.00 N ATOM 0 H LYS A 22 4.847 2.775 4.198 1.00 0.00 H new ATOM 0 HA LYS A 22 3.984 0.609 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.301 2.594 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.056 1.368 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.562 -0.396 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.031 0.468 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.424 0.184 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.075 1.887 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.628 1.689 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.960 -0.018 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.983 1.285 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.706 0.545 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.383 2.200 5.247 1.00 0.00 H new ATOM 359 N ALA A 23 3.281 3.687 6.612 1.00 0.00 N ATOM 360 CA ALA A 23 2.477 4.522 7.475 1.00 0.00 C ATOM 361 C ALA A 23 1.023 4.144 7.333 1.00 0.00 C ATOM 362 O ALA A 23 0.258 4.251 8.291 1.00 0.00 O ATOM 363 CB ALA A 23 2.621 6.023 7.156 1.00 0.00 C ATOM 0 H ALA A 23 3.533 4.139 5.733 1.00 0.00 H new ATOM 0 HA ALA A 23 2.832 4.357 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.995 6.601 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.662 6.323 7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.308 6.208 6.128 1.00 0.00 H new ATOM 369 N GLU A 24 0.619 3.666 6.127 1.00 0.00 N ATOM 370 CA GLU A 24 -0.723 3.202 5.847 1.00 0.00 C ATOM 371 C GLU A 24 -0.948 1.859 6.491 1.00 0.00 C ATOM 372 O GLU A 24 -2.055 1.565 6.932 1.00 0.00 O ATOM 373 CB GLU A 24 -1.023 3.044 4.331 1.00 0.00 C ATOM 374 CG GLU A 24 -0.805 4.318 3.495 1.00 0.00 C ATOM 375 CD GLU A 24 -1.688 5.460 3.993 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.935 5.349 3.861 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.124 6.464 4.506 1.00 0.00 O ATOM 0 H GLU A 24 1.244 3.600 5.323 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.387 3.966 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.392 2.251 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.057 2.720 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.242 4.615 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.027 4.112 2.448 1.00 0.00 H new ATOM 384 N PHE A 25 0.127 1.030 6.572 1.00 0.00 N ATOM 385 CA PHE A 25 0.134 -0.289 7.162 1.00 0.00 C ATOM 386 C PHE A 25 -0.079 -0.183 8.650 1.00 0.00 C ATOM 387 O PHE A 25 -0.851 -0.944 9.232 1.00 0.00 O ATOM 388 CB PHE A 25 1.492 -1.009 6.890 1.00 0.00 C ATOM 389 CG PHE A 25 1.444 -2.484 7.216 1.00 0.00 C ATOM 390 CD1 PHE A 25 1.616 -2.949 8.534 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.226 -3.421 6.194 1.00 0.00 C ATOM 392 CE1 PHE A 25 1.499 -4.314 8.829 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.116 -4.786 6.483 1.00 0.00 C ATOM 394 CZ PHE A 25 1.227 -5.230 7.805 1.00 0.00 C ATOM 0 H PHE A 25 1.040 1.297 6.205 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.671 -0.870 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.763 -0.881 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.275 -0.535 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.840 -2.248 9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.142 -3.084 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.618 -4.659 9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.946 -5.495 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.103 -6.278 8.036 1.00 0.00 H new ATOM 404 N GLN A 26 0.627 0.787 9.282 1.00 0.00 N ATOM 405 CA GLN A 26 0.726 0.975 10.707 1.00 0.00 C ATOM 406 C GLN A 26 -0.608 1.252 11.338 1.00 0.00 C ATOM 407 O GLN A 26 -0.945 0.668 12.368 1.00 0.00 O ATOM 408 CB GLN A 26 1.671 2.161 11.022 1.00 0.00 C ATOM 409 CG GLN A 26 1.982 2.393 12.513 1.00 0.00 C ATOM 410 CD GLN A 26 2.655 1.160 13.130 1.00 0.00 C ATOM 411 OE1 GLN A 26 2.070 0.488 13.987 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.914 0.871 12.677 1.00 0.00 N ATOM 0 H GLN A 26 1.162 1.483 8.763 1.00 0.00 H new ATOM 0 HA GLN A 26 1.119 0.046 11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.612 2.002 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.229 3.071 10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.633 3.260 12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.060 2.616 13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.349 1.461 11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.417 0.066 13.049 1.00 0.00 H new ATOM 421 N THR A 27 -1.400 2.153 10.714 1.00 0.00 N ATOM 422 CA THR A 27 -2.667 2.599 11.243 1.00 0.00 C ATOM 423 C THR A 27 -3.698 1.538 10.996 1.00 0.00 C ATOM 424 O THR A 27 -4.172 0.880 11.921 1.00 0.00 O ATOM 425 CB THR A 27 -3.129 3.919 10.640 1.00 0.00 C ATOM 426 OG1 THR A 27 -2.076 4.875 10.679 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.346 4.473 11.413 1.00 0.00 C ATOM 0 H THR A 27 -1.157 2.583 9.822 1.00 0.00 H new ATOM 0 HA THR A 27 -2.537 2.771 12.311 1.00 0.00 H new ATOM 0 HB THR A 27 -3.415 3.735 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.385 5.718 10.287 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.661 5.416 10.967 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.166 3.756 11.363 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.071 4.638 12.455 1.00 0.00 H new ATOM 435 N ASN A 28 -4.057 1.378 9.711 1.00 0.00 N ATOM 436 CA ASN A 28 -5.166 0.596 9.270 1.00 0.00 C ATOM 437 C ASN A 28 -4.657 -0.616 8.561 1.00 0.00 C ATOM 438 O ASN A 28 -3.837 -0.538 7.650 1.00 0.00 O ATOM 439 CB ASN A 28 -6.034 1.384 8.268 1.00 0.00 C ATOM 440 CG ASN A 28 -6.871 2.426 9.022 1.00 0.00 C ATOM 441 OD1 ASN A 28 -7.768 2.063 9.792 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.564 3.738 8.793 1.00 0.00 N ATOM 0 H ASN A 28 -3.548 1.816 8.943 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.761 0.331 10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.400 1.876 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.687 0.703 7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.086 4.474 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.813 3.981 8.147 1.00 0.00 H new ATOM 449 N ARG A 29 -5.210 -1.772 8.973 1.00 0.00 N ATOM 450 CA ARG A 29 -5.189 -3.005 8.220 1.00 0.00 C ATOM 451 C ARG A 29 -6.575 -3.229 7.691 1.00 0.00 C ATOM 452 O ARG A 29 -6.833 -4.200 6.981 1.00 0.00 O ATOM 453 CB ARG A 29 -4.741 -4.220 9.057 1.00 0.00 C ATOM 454 CG ARG A 29 -3.277 -4.152 9.537 1.00 0.00 C ATOM 455 CD ARG A 29 -2.207 -4.495 8.483 1.00 0.00 C ATOM 456 NE ARG A 29 -2.093 -3.385 7.477 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.270 -3.547 6.128 1.00 0.00 C ATOM 458 NH1 ARG A 29 -2.343 -4.782 5.556 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.397 -2.435 5.345 1.00 0.00 N ATOM 0 H ARG A 29 -5.694 -1.859 9.867 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.458 -2.910 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.393 -4.308 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.876 -5.125 8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.083 -3.146 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.160 -4.832 10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.245 -4.654 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.468 -5.426 7.980 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.869 -2.451 7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.265 -5.618 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.475 -4.870 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.359 -1.507 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.530 -2.532 4.338 1.00 0.00 H new ATOM 473 N TYR A 30 -7.482 -2.272 7.995 1.00 0.00 N ATOM 474 CA TYR A 30 -8.784 -2.117 7.412 1.00 0.00 C ATOM 475 C TYR A 30 -8.597 -1.316 6.147 1.00 0.00 C ATOM 476 O TYR A 30 -8.886 -0.122 6.089 1.00 0.00 O ATOM 477 CB TYR A 30 -9.714 -1.325 8.355 1.00 0.00 C ATOM 478 CG TYR A 30 -9.923 -2.084 9.637 1.00 0.00 C ATOM 479 CD1 TYR A 30 -10.744 -3.224 9.660 1.00 0.00 C ATOM 480 CD2 TYR A 30 -9.295 -1.672 10.825 1.00 0.00 C ATOM 481 CE1 TYR A 30 -10.936 -3.940 10.851 1.00 0.00 C ATOM 482 CE2 TYR A 30 -9.483 -2.385 12.016 1.00 0.00 C ATOM 483 CZ TYR A 30 -10.305 -3.520 12.030 1.00 0.00 C ATOM 484 OH TYR A 30 -10.498 -4.242 13.229 1.00 0.00 O ATOM 0 H TYR A 30 -7.288 -1.559 8.698 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.231 -3.093 7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.281 -0.348 8.569 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.673 -1.149 7.868 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.231 -3.552 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.661 -0.797 10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.570 -4.814 10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.995 -2.060 12.923 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.989 -3.818 13.951 1.00 0.00 H new ATOM 494 N LEU A 31 -8.067 -1.993 5.108 1.00 0.00 N ATOM 495 CA LEU A 31 -7.665 -1.412 3.858 1.00 0.00 C ATOM 496 C LEU A 31 -8.818 -1.641 2.920 1.00 0.00 C ATOM 497 O LEU A 31 -9.222 -2.781 2.695 1.00 0.00 O ATOM 498 CB LEU A 31 -6.380 -2.117 3.355 1.00 0.00 C ATOM 499 CG LEU A 31 -5.462 -1.329 2.392 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.113 -0.938 1.059 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.791 -0.107 3.046 1.00 0.00 C ATOM 0 H LEU A 31 -7.910 -3.000 5.142 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.437 -0.349 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.789 -2.400 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.676 -3.040 2.857 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.682 -2.051 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.394 -0.389 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.426 -1.838 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.982 -0.309 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.162 0.398 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.557 0.581 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.178 -0.434 3.886 1.00 0.00 H new ATOM 513 N THR A 32 -9.397 -0.541 2.384 1.00 0.00 N ATOM 514 CA THR A 32 -10.610 -0.579 1.598 1.00 0.00 C ATOM 515 C THR A 32 -10.217 -0.502 0.157 1.00 0.00 C ATOM 516 O THR A 32 -9.050 -0.310 -0.159 1.00 0.00 O ATOM 517 CB THR A 32 -11.625 0.499 1.976 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.205 1.817 1.646 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.823 0.439 3.497 1.00 0.00 C ATOM 0 H THR A 32 -9.016 0.398 2.498 1.00 0.00 H new ATOM 0 HA THR A 32 -11.132 -1.513 1.804 1.00 0.00 H new ATOM 0 HB THR A 32 -12.537 0.299 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.898 2.457 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.544 1.198 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.195 -0.547 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.871 0.623 3.995 1.00 0.00 H new ATOM 527 N GLU A 33 -11.203 -0.645 -0.756 1.00 0.00 N ATOM 528 CA GLU A 33 -11.003 -0.482 -2.177 1.00 0.00 C ATOM 529 C GLU A 33 -10.848 0.979 -2.522 1.00 0.00 C ATOM 530 O GLU A 33 -10.263 1.315 -3.549 1.00 0.00 O ATOM 531 CB GLU A 33 -12.157 -1.087 -3.014 1.00 0.00 C ATOM 532 CG GLU A 33 -13.554 -0.513 -2.701 1.00 0.00 C ATOM 533 CD GLU A 33 -14.603 -1.222 -3.554 1.00 0.00 C ATOM 534 OE1 GLU A 33 -14.529 -1.099 -4.807 1.00 0.00 O ATOM 535 OE2 GLU A 33 -15.492 -1.895 -2.968 1.00 0.00 O ATOM 0 H GLU A 33 -12.163 -0.879 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.091 -1.024 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.943 -0.927 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.178 -2.165 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.783 -0.643 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.571 0.558 -2.902 1.00 0.00 H new ATOM 542 N GLN A 34 -11.374 1.872 -1.648 1.00 0.00 N ATOM 543 CA GLN A 34 -11.438 3.294 -1.862 1.00 0.00 C ATOM 544 C GLN A 34 -10.157 3.936 -1.408 1.00 0.00 C ATOM 545 O GLN A 34 -9.681 4.898 -2.008 1.00 0.00 O ATOM 546 CB GLN A 34 -12.632 3.910 -1.097 1.00 0.00 C ATOM 547 CG GLN A 34 -12.872 5.408 -1.354 1.00 0.00 C ATOM 548 CD GLN A 34 -13.151 5.649 -2.843 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.144 5.148 -3.384 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.249 6.433 -3.512 1.00 0.00 N ATOM 0 H GLN A 34 -11.772 1.588 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.578 3.477 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.536 3.362 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.474 3.762 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.715 5.757 -0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.000 5.983 -1.042 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.446 6.822 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.380 6.628 -4.505 1.00 0.00 H new ATOM 559 N ARG A 35 -9.547 3.375 -0.341 1.00 0.00 N ATOM 560 CA ARG A 35 -8.252 3.761 0.158 1.00 0.00 C ATOM 561 C ARG A 35 -7.209 3.291 -0.797 1.00 0.00 C ATOM 562 O ARG A 35 -6.318 4.056 -1.142 1.00 0.00 O ATOM 563 CB ARG A 35 -7.903 3.065 1.486 1.00 0.00 C ATOM 564 CG ARG A 35 -8.564 3.717 2.710 1.00 0.00 C ATOM 565 CD ARG A 35 -8.438 2.909 4.006 1.00 0.00 C ATOM 566 NE ARG A 35 -6.984 2.672 4.257 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.184 3.487 5.012 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.683 4.589 5.640 1.00 0.00 N ATOM 569 NH2 ARG A 35 -4.854 3.191 5.127 1.00 0.00 N ATOM 0 H ARG A 35 -9.973 2.621 0.198 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.281 4.843 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.209 2.020 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.821 3.074 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.121 4.701 2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.621 3.874 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.886 3.451 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.970 1.962 3.919 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.558 1.846 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.672 4.821 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.067 5.181 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.471 2.373 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.245 3.789 5.686 1.00 0.00 H new ATOM 583 N ARG A 36 -7.318 2.009 -1.218 1.00 0.00 N ATOM 584 CA ARG A 36 -6.366 1.316 -2.066 1.00 0.00 C ATOM 585 C ARG A 36 -6.117 2.014 -3.376 1.00 0.00 C ATOM 586 O ARG A 36 -4.985 2.062 -3.856 1.00 0.00 O ATOM 587 CB ARG A 36 -6.835 -0.117 -2.402 1.00 0.00 C ATOM 588 CG ARG A 36 -5.778 -0.985 -3.097 1.00 0.00 C ATOM 589 CD ARG A 36 -6.267 -2.414 -3.384 1.00 0.00 C ATOM 590 NE ARG A 36 -6.498 -3.150 -2.097 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.487 -3.758 -1.405 1.00 0.00 C ATOM 592 NH1 ARG A 36 -4.202 -3.717 -1.863 1.00 0.00 N ATOM 593 NH2 ARG A 36 -5.765 -4.414 -0.240 1.00 0.00 N ATOM 0 H ARG A 36 -8.109 1.421 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.446 1.300 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.143 -0.610 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.716 -0.057 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.487 -0.512 -4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.886 -1.031 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.190 -2.381 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.530 -2.944 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.446 -3.199 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.986 -3.228 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.458 -4.175 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.723 -4.449 0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.015 -4.869 0.280 1.00 0.00 H new ATOM 607 N GLN A 37 -7.188 2.582 -3.974 1.00 0.00 N ATOM 608 CA GLN A 37 -7.115 3.230 -5.265 1.00 0.00 C ATOM 609 C GLN A 37 -6.669 4.660 -5.124 1.00 0.00 C ATOM 610 O GLN A 37 -6.377 5.316 -6.121 1.00 0.00 O ATOM 611 CB GLN A 37 -8.461 3.230 -6.025 1.00 0.00 C ATOM 612 CG GLN A 37 -9.541 4.100 -5.364 1.00 0.00 C ATOM 613 CD GLN A 37 -10.903 3.850 -6.022 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.784 3.205 -5.441 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.066 4.384 -7.271 1.00 0.00 N ATOM 0 H GLN A 37 -8.120 2.594 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.392 2.649 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.294 3.584 -7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.827 2.206 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.597 3.875 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.274 5.153 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.306 4.908 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.948 4.258 -7.768 1.00 0.00 H new ATOM 624 N SER A 38 -6.604 5.171 -3.870 1.00 0.00 N ATOM 625 CA SER A 38 -6.157 6.510 -3.576 1.00 0.00 C ATOM 626 C SER A 38 -4.689 6.442 -3.259 1.00 0.00 C ATOM 627 O SER A 38 -3.980 7.437 -3.383 1.00 0.00 O ATOM 628 CB SER A 38 -6.915 7.101 -2.372 1.00 0.00 C ATOM 629 OG SER A 38 -6.666 8.494 -2.204 1.00 0.00 O ATOM 0 H SER A 38 -6.869 4.640 -3.040 1.00 0.00 H new ATOM 0 HA SER A 38 -6.347 7.153 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.985 6.939 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.622 6.570 -1.466 1.00 0.00 H new ATOM 0 HG SER A 38 -7.168 8.825 -1.430 1.00 0.00 H new ATOM 635 N LEU A 39 -4.195 5.236 -2.877 1.00 0.00 N ATOM 636 CA LEU A 39 -2.786 4.969 -2.708 1.00 0.00 C ATOM 637 C LEU A 39 -2.221 4.778 -4.090 1.00 0.00 C ATOM 638 O LEU A 39 -1.060 5.093 -4.353 1.00 0.00 O ATOM 639 CB LEU A 39 -2.455 3.676 -1.912 1.00 0.00 C ATOM 640 CG LEU A 39 -3.162 3.466 -0.551 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.541 2.279 0.213 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.251 4.714 0.347 1.00 0.00 C ATOM 0 H LEU A 39 -4.788 4.430 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.368 5.803 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.691 2.822 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.379 3.656 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.196 3.238 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.054 2.151 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.645 1.370 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.484 2.475 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.763 4.459 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.247 5.072 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.806 5.496 -0.171 1.00 0.00 H new ATOM 654 N ALA A 40 -3.082 4.260 -5.006 1.00 0.00 N ATOM 655 CA ALA A 40 -2.765 4.051 -6.395 1.00 0.00 C ATOM 656 C ALA A 40 -2.770 5.350 -7.149 1.00 0.00 C ATOM 657 O ALA A 40 -2.104 5.483 -8.172 1.00 0.00 O ATOM 658 CB ALA A 40 -3.767 3.110 -7.083 1.00 0.00 C ATOM 0 H ALA A 40 -4.032 3.978 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.773 3.600 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.487 2.982 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.758 2.141 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.768 3.539 -7.025 1.00 0.00 H new ATOM 664 N GLN A 41 -3.527 6.355 -6.651 1.00 0.00 N ATOM 665 CA GLN A 41 -3.616 7.652 -7.272 1.00 0.00 C ATOM 666 C GLN A 41 -2.385 8.452 -6.932 1.00 0.00 C ATOM 667 O GLN A 41 -1.913 9.259 -7.732 1.00 0.00 O ATOM 668 CB GLN A 41 -4.865 8.415 -6.764 1.00 0.00 C ATOM 669 CG GLN A 41 -5.137 9.757 -7.465 1.00 0.00 C ATOM 670 CD GLN A 41 -6.393 10.405 -6.868 1.00 0.00 C ATOM 671 OE1 GLN A 41 -6.303 11.428 -6.179 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.582 9.786 -7.145 1.00 0.00 N ATOM 0 H GLN A 41 -4.087 6.266 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.695 7.517 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.738 7.774 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.751 8.597 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.281 10.421 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.271 9.599 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.597 8.944 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.453 10.167 -6.777 1.00 0.00 H new ATOM 681 N GLU A 42 -1.852 8.238 -5.706 1.00 0.00 N ATOM 682 CA GLU A 42 -0.959 9.164 -5.063 1.00 0.00 C ATOM 683 C GLU A 42 0.465 8.992 -5.473 1.00 0.00 C ATOM 684 O GLU A 42 1.063 9.888 -6.067 1.00 0.00 O ATOM 685 CB GLU A 42 -1.068 9.051 -3.529 1.00 0.00 C ATOM 686 CG GLU A 42 -0.344 10.170 -2.759 1.00 0.00 C ATOM 687 CD GLU A 42 -0.711 10.157 -1.272 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.588 9.351 -0.866 1.00 0.00 O ATOM 689 OE2 GLU A 42 -0.109 10.972 -0.522 1.00 0.00 O ATOM 0 H GLU A 42 -2.046 7.404 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.272 10.156 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.122 9.057 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.661 8.089 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.734 10.051 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.604 11.137 -3.190 1.00 0.00 H new ATOM 696 N LEU A 43 1.028 7.808 -5.164 1.00 0.00 N ATOM 697 CA LEU A 43 2.380 7.432 -5.491 1.00 0.00 C ATOM 698 C LEU A 43 2.440 7.130 -6.950 1.00 0.00 C ATOM 699 O LEU A 43 3.470 7.289 -7.604 1.00 0.00 O ATOM 700 CB LEU A 43 2.766 6.152 -4.730 1.00 0.00 C ATOM 701 CG LEU A 43 2.726 6.344 -3.204 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.866 5.000 -2.474 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.771 7.365 -2.713 1.00 0.00 C ATOM 0 H LEU A 43 0.522 7.077 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 43 3.058 8.242 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.087 5.347 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.768 5.843 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 43 1.748 6.759 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.834 5.166 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.047 4.341 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.816 4.538 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.702 7.464 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.770 7.022 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.582 8.332 -3.179 1.00 0.00 H new ATOM 715 N GLY A 44 1.275 6.706 -7.472 1.00 0.00 N ATOM 716 CA GLY A 44 1.072 6.456 -8.876 1.00 0.00 C ATOM 717 C GLY A 44 1.282 4.999 -9.102 1.00 0.00 C ATOM 718 O GLY A 44 1.938 4.593 -10.060 1.00 0.00 O ATOM 0 H GLY A 44 0.446 6.530 -6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.067 6.750 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.769 7.042 -9.475 1.00 0.00 H new ATOM 722 N LEU A 45 0.702 4.181 -8.196 1.00 0.00 N ATOM 723 CA LEU A 45 0.759 2.736 -8.287 1.00 0.00 C ATOM 724 C LEU A 45 -0.488 2.285 -9.004 1.00 0.00 C ATOM 725 O LEU A 45 -1.218 3.091 -9.580 1.00 0.00 O ATOM 726 CB LEU A 45 0.828 2.048 -6.898 1.00 0.00 C ATOM 727 CG LEU A 45 2.068 2.435 -6.059 1.00 0.00 C ATOM 728 CD1 LEU A 45 1.797 2.184 -4.565 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.347 1.720 -6.527 1.00 0.00 C ATOM 0 H LEU A 45 0.184 4.522 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 45 1.667 2.455 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.071 2.300 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.822 0.967 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 45 2.246 3.500 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.677 2.460 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.947 2.785 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.575 1.128 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.186 2.029 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.212 0.642 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.551 1.982 -7.565 1.00 0.00 H new ATOM 741 N ASN A 46 -0.760 0.963 -8.975 1.00 0.00 N ATOM 742 CA ASN A 46 -2.049 0.406 -9.297 1.00 0.00 C ATOM 743 C ASN A 46 -2.511 -0.177 -7.998 1.00 0.00 C ATOM 744 O ASN A 46 -1.825 -0.069 -6.984 1.00 0.00 O ATOM 745 CB ASN A 46 -2.011 -0.712 -10.373 1.00 0.00 C ATOM 746 CG ASN A 46 -1.536 -0.147 -11.720 1.00 0.00 C ATOM 747 OD1 ASN A 46 -0.529 -0.605 -12.274 1.00 0.00 O ATOM 748 ND2 ASN A 46 -2.294 0.858 -12.254 1.00 0.00 N ATOM 0 H ASN A 46 -0.066 0.260 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.697 1.174 -9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.343 -1.511 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.003 -1.151 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.038 1.268 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.115 1.198 -11.754 1.00 0.00 H new ATOM 755 N GLU A 47 -3.703 -0.810 -7.993 1.00 0.00 N ATOM 756 CA GLU A 47 -4.249 -1.503 -6.851 1.00 0.00 C ATOM 757 C GLU A 47 -3.512 -2.787 -6.640 1.00 0.00 C ATOM 758 O GLU A 47 -3.203 -3.182 -5.517 1.00 0.00 O ATOM 759 CB GLU A 47 -5.732 -1.867 -7.067 1.00 0.00 C ATOM 760 CG GLU A 47 -6.572 -0.602 -7.267 1.00 0.00 C ATOM 761 CD GLU A 47 -8.033 -0.889 -6.936 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.678 -1.641 -7.714 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.521 -0.372 -5.895 1.00 0.00 O ATOM 0 H GLU A 47 -4.311 -0.843 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.151 -0.837 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.830 -2.517 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.104 -2.426 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.196 0.198 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.485 -0.257 -8.297 1.00 0.00 H new ATOM 770 N SER A 48 -3.228 -3.438 -7.782 1.00 0.00 N ATOM 771 CA SER A 48 -2.694 -4.773 -7.922 1.00 0.00 C ATOM 772 C SER A 48 -1.297 -4.902 -7.377 1.00 0.00 C ATOM 773 O SER A 48 -0.907 -5.972 -6.912 1.00 0.00 O ATOM 774 CB SER A 48 -2.657 -5.219 -9.401 1.00 0.00 C ATOM 775 OG SER A 48 -3.962 -5.192 -9.962 1.00 0.00 O ATOM 0 H SER A 48 -3.383 -2.998 -8.689 1.00 0.00 H new ATOM 0 HA SER A 48 -3.367 -5.408 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.997 -4.563 -9.968 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.245 -6.225 -9.473 1.00 0.00 H new ATOM 0 HG SER A 48 -3.921 -5.475 -10.899 1.00 0.00 H new ATOM 781 N GLN A 49 -0.515 -3.797 -7.412 1.00 0.00 N ATOM 782 CA GLN A 49 0.844 -3.746 -6.944 1.00 0.00 C ATOM 783 C GLN A 49 0.898 -3.788 -5.440 1.00 0.00 C ATOM 784 O GLN A 49 1.826 -4.357 -4.866 1.00 0.00 O ATOM 785 CB GLN A 49 1.534 -2.441 -7.399 1.00 0.00 C ATOM 786 CG GLN A 49 1.656 -2.337 -8.930 1.00 0.00 C ATOM 787 CD GLN A 49 2.400 -1.048 -9.294 1.00 0.00 C ATOM 788 OE1 GLN A 49 3.356 -0.660 -8.613 1.00 0.00 O ATOM 789 NE2 GLN A 49 1.960 -0.385 -10.406 1.00 0.00 N ATOM 0 H GLN A 49 -0.844 -2.905 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 49 1.356 -4.612 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.970 -1.587 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.528 -2.386 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.190 -3.202 -9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.666 -2.340 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.166 -0.746 -10.934 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.426 0.471 -10.707 1.00 0.00 H new ATOM 798 N ILE A 50 -0.109 -3.178 -4.769 1.00 0.00 N ATOM 799 CA ILE A 50 -0.125 -3.011 -3.337 1.00 0.00 C ATOM 800 C ILE A 50 -0.691 -4.251 -2.688 1.00 0.00 C ATOM 801 O ILE A 50 -0.419 -4.506 -1.520 1.00 0.00 O ATOM 802 CB ILE A 50 -0.928 -1.805 -2.863 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.998 -0.717 -3.956 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.252 -1.272 -1.578 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.799 0.506 -3.524 1.00 0.00 C ATOM 0 H ILE A 50 -0.931 -2.792 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 50 0.911 -2.841 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.957 -2.094 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.014 -0.408 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.447 -1.140 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.802 -0.406 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.252 -2.052 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.775 -0.982 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.813 1.236 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.820 0.207 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.337 0.950 -2.642 1.00 0.00 H new ATOM 817 N LYS A 51 -1.478 -5.072 -3.434 1.00 0.00 N ATOM 818 CA LYS A 51 -2.037 -6.320 -2.960 1.00 0.00 C ATOM 819 C LYS A 51 -0.942 -7.302 -2.644 1.00 0.00 C ATOM 820 O LYS A 51 -1.015 -8.029 -1.657 1.00 0.00 O ATOM 821 CB LYS A 51 -2.961 -6.971 -4.012 1.00 0.00 C ATOM 822 CG LYS A 51 -4.278 -6.208 -4.214 1.00 0.00 C ATOM 823 CD LYS A 51 -5.171 -6.807 -5.311 1.00 0.00 C ATOM 824 CE LYS A 51 -6.371 -5.918 -5.671 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.272 -5.724 -4.511 1.00 0.00 N ATOM 0 H LYS A 51 -1.733 -4.860 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.614 -6.083 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.433 -7.030 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.184 -7.994 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.830 -6.196 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.053 -5.171 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.572 -6.976 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.535 -7.781 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.015 -4.949 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.926 -6.370 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.071 -5.119 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.631 -6.647 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.748 -5.270 -3.736 1.00 0.00 H new ATOM 839 N ILE A 52 0.124 -7.299 -3.477 1.00 0.00 N ATOM 840 CA ILE A 52 1.316 -8.084 -3.343 1.00 0.00 C ATOM 841 C ILE A 52 2.079 -7.605 -2.140 1.00 0.00 C ATOM 842 O ILE A 52 2.483 -8.407 -1.304 1.00 0.00 O ATOM 843 CB ILE A 52 2.126 -7.936 -4.627 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.377 -8.619 -5.802 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.558 -8.464 -4.433 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.997 -8.345 -7.177 1.00 0.00 C ATOM 0 H ILE A 52 0.150 -6.702 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 52 1.089 -9.140 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 52 2.225 -6.880 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.358 -9.695 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.342 -8.278 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.117 -8.348 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.050 -7.900 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.523 -9.519 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.417 -8.856 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.992 -7.272 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.023 -8.711 -7.193 1.00 0.00 H new ATOM 858 N TRP A 53 2.260 -6.273 -2.042 1.00 0.00 N ATOM 859 CA TRP A 53 3.013 -5.575 -1.025 1.00 0.00 C ATOM 860 C TRP A 53 2.504 -5.809 0.379 1.00 0.00 C ATOM 861 O TRP A 53 3.304 -5.961 1.298 1.00 0.00 O ATOM 862 CB TRP A 53 3.029 -4.050 -1.324 1.00 0.00 C ATOM 863 CG TRP A 53 4.046 -3.242 -0.543 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.359 -3.005 -0.837 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.795 -2.621 0.730 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.946 -2.277 0.168 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.011 -2.037 1.146 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.655 -2.546 1.521 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.106 -1.384 2.368 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.758 -1.907 2.763 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.968 -1.341 3.183 1.00 0.00 C ATOM 0 H TRP A 53 1.852 -5.632 -2.722 1.00 0.00 H new ATOM 0 HA TRP A 53 4.023 -5.984 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.218 -3.908 -2.388 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.037 -3.647 -1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.863 -3.342 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.917 -1.965 0.186 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.718 -2.968 1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.031 -0.923 2.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.892 -1.850 3.406 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.024 -0.864 4.150 1.00 0.00 H new ATOM 882 N PHE A 54 1.167 -5.856 0.589 1.00 0.00 N ATOM 883 CA PHE A 54 0.566 -6.059 1.883 1.00 0.00 C ATOM 884 C PHE A 54 0.720 -7.493 2.304 1.00 0.00 C ATOM 885 O PHE A 54 0.957 -7.756 3.478 1.00 0.00 O ATOM 886 CB PHE A 54 -0.949 -5.721 1.878 1.00 0.00 C ATOM 887 CG PHE A 54 -1.209 -4.234 1.787 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.583 -3.332 2.666 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.128 -3.724 0.853 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.830 -1.957 2.583 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.384 -2.349 0.772 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.730 -1.463 1.635 1.00 0.00 C ATOM 0 H PHE A 54 0.485 -5.750 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 54 1.077 -5.392 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.427 -6.223 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.409 -6.112 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.098 -3.706 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.644 -4.402 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.324 -1.277 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.087 -1.973 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.920 -0.402 1.569 1.00 0.00 H new ATOM 902 N GLN A 55 0.620 -8.450 1.350 1.00 0.00 N ATOM 903 CA GLN A 55 0.738 -9.865 1.601 1.00 0.00 C ATOM 904 C GLN A 55 2.176 -10.288 1.786 1.00 0.00 C ATOM 905 O GLN A 55 2.433 -11.368 2.315 1.00 0.00 O ATOM 906 CB GLN A 55 0.124 -10.686 0.447 1.00 0.00 C ATOM 907 CG GLN A 55 -1.411 -10.579 0.407 1.00 0.00 C ATOM 908 CD GLN A 55 -1.962 -11.353 -0.798 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.466 -10.754 -1.755 1.00 0.00 O ATOM 910 NE2 GLN A 55 -1.862 -12.717 -0.732 1.00 0.00 N ATOM 0 H GLN A 55 0.451 -8.230 0.368 1.00 0.00 H new ATOM 0 HA GLN A 55 0.192 -10.061 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.535 -10.340 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.410 -11.732 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.835 -10.976 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.709 -9.532 0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.436 -13.158 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.213 -13.292 -1.498 1.00 0.00 H new ATOM 919 N ASN A 56 3.149 -9.432 1.388 1.00 0.00 N ATOM 920 CA ASN A 56 4.561 -9.622 1.622 1.00 0.00 C ATOM 921 C ASN A 56 4.859 -9.350 3.070 1.00 0.00 C ATOM 922 O ASN A 56 5.650 -10.058 3.686 1.00 0.00 O ATOM 923 CB ASN A 56 5.427 -8.644 0.793 1.00 0.00 C ATOM 924 CG ASN A 56 5.461 -9.039 -0.689 1.00 0.00 C ATOM 925 OD1 ASN A 56 5.048 -10.139 -1.078 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.978 -8.096 -1.535 1.00 0.00 N ATOM 0 H ASN A 56 2.943 -8.571 0.882 1.00 0.00 H new ATOM 0 HA ASN A 56 4.799 -10.646 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.032 -7.633 0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.442 -8.629 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.036 -8.285 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.305 -7.204 -1.165 1.00 0.00 H new ATOM 933 N LYS A 57 4.202 -8.317 3.649 1.00 0.00 N ATOM 934 CA LYS A 57 4.294 -7.976 5.056 1.00 0.00 C ATOM 935 C LYS A 57 3.671 -9.044 5.917 1.00 0.00 C ATOM 936 O LYS A 57 4.166 -9.319 7.007 1.00 0.00 O ATOM 937 CB LYS A 57 3.619 -6.630 5.413 1.00 0.00 C ATOM 938 CG LYS A 57 4.523 -5.380 5.427 1.00 0.00 C ATOM 939 CD LYS A 57 4.883 -4.801 4.056 1.00 0.00 C ATOM 940 CE LYS A 57 6.110 -5.463 3.424 1.00 0.00 C ATOM 941 NZ LYS A 57 6.432 -4.875 2.107 1.00 0.00 N ATOM 0 H LYS A 57 3.585 -7.696 3.125 1.00 0.00 H new ATOM 0 HA LYS A 57 5.363 -7.889 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.811 -6.457 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.162 -6.730 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.027 -4.603 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.447 -5.629 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.031 -4.915 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.067 -3.732 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.966 -5.354 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.929 -6.532 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.175 -5.546 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.897 -3.992 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.451 -4.672 2.057 1.00 0.00 H new ATOM 955 N ARG A 58 2.578 -9.683 5.436 1.00 0.00 N ATOM 956 CA ARG A 58 1.913 -10.751 6.151 1.00 0.00 C ATOM 957 C ARG A 58 2.721 -12.028 6.101 1.00 0.00 C ATOM 958 O ARG A 58 2.583 -12.881 6.973 1.00 0.00 O ATOM 959 CB ARG A 58 0.504 -11.079 5.601 1.00 0.00 C ATOM 960 CG ARG A 58 -0.518 -9.933 5.690 1.00 0.00 C ATOM 961 CD ARG A 58 -0.765 -9.377 7.102 1.00 0.00 C ATOM 962 NE ARG A 58 -1.782 -8.276 7.000 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.132 -8.486 7.091 1.00 0.00 C ATOM 964 NH1 ARG A 58 -3.642 -9.713 7.400 1.00 0.00 N ATOM 965 NH2 ARG A 58 -3.987 -7.445 6.861 1.00 0.00 N ATOM 0 H ARG A 58 2.148 -9.458 4.539 1.00 0.00 H new ATOM 0 HA ARG A 58 1.816 -10.382 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.600 -11.379 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.111 -11.938 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.180 -9.117 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.467 -10.283 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.123 -10.165 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.163 -8.999 7.530 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.450 -7.323 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.014 -10.499 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.652 -9.845 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.617 -6.524 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.995 -7.589 6.926 1.00 0.00 H new ATOM 979 N ALA A 59 3.596 -12.176 5.080 1.00 0.00 N ATOM 980 CA ALA A 59 4.465 -13.319 4.903 1.00 0.00 C ATOM 981 C ALA A 59 5.651 -13.233 5.830 1.00 0.00 C ATOM 982 O ALA A 59 6.150 -14.258 6.294 1.00 0.00 O ATOM 983 CB ALA A 59 4.996 -13.436 3.462 1.00 0.00 C ATOM 0 H ALA A 59 3.705 -11.475 4.347 1.00 0.00 H new ATOM 0 HA ALA A 59 3.861 -14.197 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.643 -14.310 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.158 -13.541 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.563 -12.540 3.209 1.00 0.00 H new ATOM 989 N LYS A 60 6.111 -11.994 6.140 1.00 0.00 N ATOM 990 CA LYS A 60 7.197 -11.719 7.056 1.00 0.00 C ATOM 991 C LYS A 60 6.767 -11.971 8.479 1.00 0.00 C ATOM 992 O LYS A 60 7.596 -12.287 9.330 1.00 0.00 O ATOM 993 CB LYS A 60 7.667 -10.250 6.959 1.00 0.00 C ATOM 994 CG LYS A 60 8.415 -9.943 5.653 1.00 0.00 C ATOM 995 CD LYS A 60 8.520 -8.441 5.333 1.00 0.00 C ATOM 996 CE LYS A 60 9.244 -7.592 6.391 1.00 0.00 C ATOM 997 NZ LYS A 60 10.643 -8.041 6.583 1.00 0.00 N ATOM 0 H LYS A 60 5.710 -11.148 5.736 1.00 0.00 H new ATOM 0 HA LYS A 60 8.016 -12.383 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.802 -9.592 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.317 -10.026 7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.419 -10.363 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.909 -10.446 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.038 -8.325 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.514 -8.044 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.235 -6.545 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.708 -7.654 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.108 -7.437 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.649 -9.027 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.156 -7.974 5.681 1.00 0.00 H new ATOM 1011 N ILE A 61 5.445 -11.857 8.755 1.00 0.00 N ATOM 1012 CA ILE A 61 4.850 -12.200 10.024 1.00 0.00 C ATOM 1013 C ILE A 61 4.629 -13.688 9.979 1.00 0.00 C ATOM 1014 O ILE A 61 4.144 -14.231 8.988 1.00 0.00 O ATOM 1015 CB ILE A 61 3.570 -11.417 10.283 1.00 0.00 C ATOM 1016 CG1 ILE A 61 3.941 -9.920 10.431 1.00 0.00 C ATOM 1017 CG2 ILE A 61 2.831 -11.956 11.531 1.00 0.00 C ATOM 1018 CD1 ILE A 61 2.736 -8.995 10.596 1.00 0.00 C ATOM 0 H ILE A 61 4.768 -11.515 8.073 1.00 0.00 H new ATOM 0 HA ILE A 61 5.499 -11.933 10.858 1.00 0.00 H new ATOM 0 HB ILE A 61 2.881 -11.535 9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.597 -9.802 11.293 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.508 -9.608 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.921 -11.379 11.692 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.574 -13.004 11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.478 -11.866 12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.079 -7.965 10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.089 -9.081 9.723 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.180 -9.278 11.489 1.00 0.00 H new ATOM 1030 N LYS A 62 5.064 -14.379 11.055 1.00 0.00 N ATOM 1031 CA LYS A 62 5.241 -15.812 11.064 1.00 0.00 C ATOM 1032 C LYS A 62 4.246 -16.464 11.979 1.00 0.00 C ATOM 1033 O LYS A 62 4.049 -17.676 11.900 1.00 0.00 O ATOM 1034 CB LYS A 62 6.655 -16.218 11.551 1.00 0.00 C ATOM 1035 CG LYS A 62 7.808 -15.606 10.734 1.00 0.00 C ATOM 1036 CD LYS A 62 7.803 -15.980 9.242 1.00 0.00 C ATOM 1037 CE LYS A 62 9.036 -15.449 8.498 1.00 0.00 C ATOM 1038 NZ LYS A 62 8.989 -15.803 7.060 1.00 0.00 N ATOM 0 H LYS A 62 5.299 -13.934 11.942 1.00 0.00 H new ATOM 0 HA LYS A 62 5.099 -16.144 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.766 -15.920 12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.739 -17.304 11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.763 -14.521 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.755 -15.923 11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.762 -17.065 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.902 -15.583 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.091 -14.366 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.940 -15.861 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.835 -15.431 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.961 -16.838 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.138 -15.389 6.628 1.00 0.00 H new ATOM 1052 N LYS A 63 3.593 -15.680 12.871 1.00 0.00 N ATOM 1053 CA LYS A 63 2.693 -16.200 13.878 1.00 0.00 C ATOM 1054 C LYS A 63 1.371 -16.598 13.268 1.00 0.00 C ATOM 1055 O LYS A 63 1.112 -16.367 12.087 1.00 0.00 O ATOM 1056 CB LYS A 63 2.476 -15.219 15.056 1.00 0.00 C ATOM 1057 CG LYS A 63 1.924 -13.843 14.650 1.00 0.00 C ATOM 1058 CD LYS A 63 1.798 -12.849 15.818 1.00 0.00 C ATOM 1059 CE LYS A 63 0.676 -13.203 16.801 1.00 0.00 C ATOM 1060 NZ LYS A 63 0.567 -12.193 17.880 1.00 0.00 N ATOM 0 H LYS A 63 3.690 -14.665 12.895 1.00 0.00 H new ATOM 0 HA LYS A 63 3.173 -17.088 14.291 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.790 -15.675 15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.425 -15.077 15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.574 -13.412 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.944 -13.977 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.745 -12.811 16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.619 -11.851 15.418 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.271 -13.270 16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.867 -14.184 17.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.200 -12.460 18.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.464 -12.147 18.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.361 -11.262 17.465 1.00 0.00 H new ATOM 1074 N ALA A 64 0.525 -17.268 14.084 1.00 0.00 N ATOM 1075 CA ALA A 64 -0.681 -17.924 13.641 1.00 0.00 C ATOM 1076 C ALA A 64 -1.854 -16.993 13.722 1.00 0.00 C ATOM 1077 O ALA A 64 -2.684 -16.967 12.814 1.00 0.00 O ATOM 1078 CB ALA A 64 -1.001 -19.157 14.506 1.00 0.00 C ATOM 0 H ALA A 64 0.685 -17.357 15.087 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.509 -18.231 12.609 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.916 -19.627 14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.178 -19.869 14.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.136 -18.849 15.543 1.00 0.00 H new ATOM 1084 N THR A 65 -1.953 -16.217 14.833 1.00 0.00 N ATOM 1085 CA THR A 65 -3.104 -15.398 15.163 1.00 0.00 C ATOM 1086 C THR A 65 -3.219 -14.266 14.174 1.00 0.00 C ATOM 1087 O THR A 65 -4.224 -14.158 13.472 1.00 0.00 O ATOM 1088 CB THR A 65 -3.054 -14.861 16.586 1.00 0.00 C ATOM 1089 OG1 THR A 65 -2.878 -15.934 17.503 1.00 0.00 O ATOM 1090 CG2 THR A 65 -4.347 -14.095 16.943 1.00 0.00 C ATOM 0 H THR A 65 -1.208 -16.156 15.527 1.00 0.00 H new ATOM 0 HA THR A 65 -3.988 -16.033 15.102 1.00 0.00 H new ATOM 0 HB THR A 65 -2.212 -14.172 16.653 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.845 -15.581 18.417 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.280 -13.724 17.966 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.473 -13.255 16.260 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.203 -14.765 16.855 1.00 0.00 H new ATOM 1098 N GLN A 66 -2.161 -13.426 14.070 1.00 0.00 N ATOM 1099 CA GLN A 66 -2.055 -12.424 13.037 1.00 0.00 C ATOM 1100 C GLN A 66 -1.397 -13.134 11.885 1.00 0.00 C ATOM 1101 O GLN A 66 -0.495 -13.941 12.091 1.00 0.00 O ATOM 1102 CB GLN A 66 -1.218 -11.196 13.483 1.00 0.00 C ATOM 1103 CG GLN A 66 -1.697 -9.843 12.917 1.00 0.00 C ATOM 1104 CD GLN A 66 -1.481 -9.748 11.401 1.00 0.00 C ATOM 1105 OE1 GLN A 66 -0.345 -9.857 10.923 1.00 0.00 O ATOM 1106 NE2 GLN A 66 -2.595 -9.534 10.638 1.00 0.00 N ATOM 0 H GLN A 66 -1.368 -13.442 14.711 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.033 -12.018 12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.230 -11.143 14.572 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.182 -11.352 13.183 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.755 -9.710 13.142 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.161 -9.033 13.411 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.509 -9.451 11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.512 -9.457 9.624 1.00 0.00 H new ATOM 1115 N ALA A 67 -1.864 -12.878 10.642 1.00 0.00 N ATOM 1116 CA ALA A 67 -1.404 -13.580 9.468 1.00 0.00 C ATOM 1117 C ALA A 67 0.061 -13.223 9.173 1.00 0.00 C ATOM 1118 O ALA A 67 0.906 -14.157 9.164 1.00 0.00 O ATOM 1119 CB ALA A 67 -2.243 -13.244 8.221 1.00 0.00 C ATOM 1120 OXT ALA A 67 0.347 -12.014 8.971 1.00 0.00 O ATOM 0 H ALA A 67 -2.573 -12.172 10.446 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.506 -14.644 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.858 -13.796 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.282 -13.523 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.183 -12.174 8.020 1.00 0.00 H new TER 1126 ALA A 67