USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot -91:sc= 0.229 USER MOD Set 1.2: A 22 GLN : amide:sc= -0.214 K(o=0.016,f=-4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.12) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0801 (180deg=-0.5) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -70:sc= -1.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 13:sc= 0.327 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00505 USER MOD Single : A 40 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 50 THR OG1 : rot -69:sc= 0.334 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= 0.979 (180deg=0.026) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -15:sc= 0.409 USER MOD Single : A 62 SER OG : rot 87:sc= 0.0404 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.43) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.456 -32.033 -16.235 1.00 0.00 N ATOM 2 CA GLY A 1 12.445 -30.662 -15.764 1.00 0.00 C ATOM 3 C GLY A 1 11.168 -30.314 -15.024 1.00 0.00 C ATOM 4 O GLY A 1 10.152 -29.994 -15.642 1.00 0.00 O ATOM 0 H1 GLY A 1 13.349 -32.222 -16.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.369 -32.679 -15.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.658 -32.183 -16.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.299 -30.500 -15.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.565 -29.988 -16.613 1.00 0.00 H new ATOM 8 N SER A 2 11.218 -30.377 -13.698 1.00 0.00 N ATOM 9 CA SER A 2 10.054 -30.072 -12.873 1.00 0.00 C ATOM 10 C SER A 2 9.671 -28.601 -12.998 1.00 0.00 C ATOM 11 O SER A 2 8.521 -28.270 -13.284 1.00 0.00 O ATOM 12 CB SER A 2 10.336 -30.416 -11.409 1.00 0.00 C ATOM 13 OG SER A 2 9.131 -30.556 -10.676 1.00 0.00 O ATOM 0 H SER A 2 12.052 -30.636 -13.171 1.00 0.00 H new ATOM 0 HA SER A 2 9.219 -30.678 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.908 -31.342 -11.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.949 -29.635 -10.960 1.00 0.00 H new ATOM 0 HG SER A 2 9.339 -30.777 -9.744 1.00 0.00 H new ATOM 19 N SER A 3 10.644 -27.722 -12.780 1.00 0.00 N ATOM 20 CA SER A 3 10.410 -26.285 -12.863 1.00 0.00 C ATOM 21 C SER A 3 10.665 -25.775 -14.278 1.00 0.00 C ATOM 22 O SER A 3 11.224 -26.483 -15.114 1.00 0.00 O ATOM 23 CB SER A 3 11.307 -25.542 -11.872 1.00 0.00 C ATOM 24 OG SER A 3 10.904 -25.791 -10.535 1.00 0.00 O ATOM 0 H SER A 3 11.602 -27.980 -12.544 1.00 0.00 H new ATOM 0 HA SER A 3 9.367 -26.096 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.342 -25.855 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.269 -24.471 -12.074 1.00 0.00 H new ATOM 0 HG SER A 3 11.494 -25.307 -9.920 1.00 0.00 H new ATOM 30 N GLY A 4 10.249 -24.539 -14.539 1.00 0.00 N ATOM 31 CA GLY A 4 10.442 -23.953 -15.852 1.00 0.00 C ATOM 32 C GLY A 4 10.736 -22.468 -15.788 1.00 0.00 C ATOM 33 O GLY A 4 10.657 -21.859 -14.721 1.00 0.00 O ATOM 0 H GLY A 4 9.782 -23.934 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.264 -24.461 -16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.549 -24.117 -16.454 1.00 0.00 H new ATOM 37 N SER A 5 11.076 -21.883 -16.932 1.00 0.00 N ATOM 38 CA SER A 5 11.390 -20.460 -17.000 1.00 0.00 C ATOM 39 C SER A 5 10.553 -19.772 -18.073 1.00 0.00 C ATOM 40 O SER A 5 10.292 -20.340 -19.133 1.00 0.00 O ATOM 41 CB SER A 5 12.878 -20.257 -17.289 1.00 0.00 C ATOM 42 OG SER A 5 13.174 -18.888 -17.506 1.00 0.00 O ATOM 0 H SER A 5 11.141 -22.372 -17.825 1.00 0.00 H new ATOM 0 HA SER A 5 11.152 -20.013 -16.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.468 -20.632 -16.453 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.164 -20.837 -18.166 1.00 0.00 H new ATOM 0 HG SER A 5 14.132 -18.785 -17.687 1.00 0.00 H new ATOM 48 N SER A 6 10.136 -18.542 -17.790 1.00 0.00 N ATOM 49 CA SER A 6 9.325 -17.774 -18.730 1.00 0.00 C ATOM 50 C SER A 6 9.375 -16.286 -18.399 1.00 0.00 C ATOM 51 O SER A 6 9.775 -15.894 -17.304 1.00 0.00 O ATOM 52 CB SER A 6 7.876 -18.266 -18.705 1.00 0.00 C ATOM 53 OG SER A 6 7.261 -17.977 -17.462 1.00 0.00 O ATOM 0 H SER A 6 10.346 -18.056 -16.918 1.00 0.00 H new ATOM 0 HA SER A 6 9.734 -17.920 -19.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.314 -17.794 -19.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.850 -19.341 -18.886 1.00 0.00 H new ATOM 0 HG SER A 6 6.336 -18.300 -17.472 1.00 0.00 H new ATOM 59 N GLY A 7 8.964 -15.459 -19.355 1.00 0.00 N ATOM 60 CA GLY A 7 8.969 -14.022 -19.149 1.00 0.00 C ATOM 61 C GLY A 7 7.735 -13.351 -19.716 1.00 0.00 C ATOM 62 O GLY A 7 7.039 -13.922 -20.556 1.00 0.00 O ATOM 0 H GLY A 7 8.627 -15.759 -20.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.035 -13.811 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.857 -13.595 -19.614 1.00 0.00 H new ATOM 66 N ALA A 8 7.459 -12.134 -19.257 1.00 0.00 N ATOM 67 CA ALA A 8 6.302 -11.384 -19.725 1.00 0.00 C ATOM 68 C ALA A 8 6.575 -9.883 -19.707 1.00 0.00 C ATOM 69 O ALA A 8 7.081 -9.346 -18.722 1.00 0.00 O ATOM 70 CB ALA A 8 5.083 -11.710 -18.874 1.00 0.00 C ATOM 0 H ALA A 8 8.023 -11.647 -18.560 1.00 0.00 H new ATOM 0 HA ALA A 8 6.103 -11.678 -20.756 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.225 -11.142 -19.235 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.867 -12.776 -18.941 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.283 -11.445 -17.836 1.00 0.00 H new ATOM 76 N TYR A 9 6.238 -9.213 -20.804 1.00 0.00 N ATOM 77 CA TYR A 9 6.452 -7.774 -20.914 1.00 0.00 C ATOM 78 C TYR A 9 5.324 -7.003 -20.236 1.00 0.00 C ATOM 79 O TYR A 9 4.143 -7.186 -20.536 1.00 0.00 O ATOM 80 CB TYR A 9 6.552 -7.366 -22.385 1.00 0.00 C ATOM 81 CG TYR A 9 7.364 -8.323 -23.226 1.00 0.00 C ATOM 82 CD1 TYR A 9 6.775 -9.444 -23.798 1.00 0.00 C ATOM 83 CD2 TYR A 9 8.719 -8.110 -23.447 1.00 0.00 C ATOM 84 CE1 TYR A 9 7.513 -10.325 -24.567 1.00 0.00 C ATOM 85 CE2 TYR A 9 9.463 -8.983 -24.216 1.00 0.00 C ATOM 86 CZ TYR A 9 8.856 -10.089 -24.774 1.00 0.00 C ATOM 87 OH TYR A 9 9.595 -10.962 -25.539 1.00 0.00 O ATOM 0 H TYR A 9 5.817 -9.642 -21.628 1.00 0.00 H new ATOM 0 HA TYR A 9 7.388 -7.530 -20.411 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.547 -7.292 -22.802 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.997 -6.373 -22.448 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.723 -9.630 -23.639 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.199 -7.247 -23.010 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.041 -11.193 -25.003 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.515 -8.801 -24.380 1.00 0.00 H new ATOM 0 HH TYR A 9 10.523 -10.650 -25.587 1.00 0.00 H new ATOM 97 N PRO A 10 5.694 -6.117 -19.300 1.00 0.00 N ATOM 98 CA PRO A 10 4.729 -5.298 -18.559 1.00 0.00 C ATOM 99 C PRO A 10 4.072 -4.240 -19.438 1.00 0.00 C ATOM 100 O PRO A 10 4.311 -4.185 -20.643 1.00 0.00 O ATOM 101 CB PRO A 10 5.585 -4.636 -17.475 1.00 0.00 C ATOM 102 CG PRO A 10 6.963 -4.611 -18.042 1.00 0.00 C ATOM 103 CD PRO A 10 7.083 -5.848 -18.891 1.00 0.00 C ATOM 0 HA PRO A 10 3.905 -5.894 -18.167 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.231 -3.630 -17.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.551 -5.201 -16.543 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.124 -3.712 -18.637 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.711 -4.607 -17.249 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.731 -5.683 -19.752 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.505 -6.681 -18.329 1.00 0.00 H new ATOM 111 N ASP A 11 3.241 -3.402 -18.827 1.00 0.00 N ATOM 112 CA ASP A 11 2.549 -2.345 -19.554 1.00 0.00 C ATOM 113 C ASP A 11 2.263 -1.155 -18.643 1.00 0.00 C ATOM 114 O ASP A 11 1.606 -1.295 -17.611 1.00 0.00 O ATOM 115 CB ASP A 11 1.243 -2.875 -20.147 1.00 0.00 C ATOM 116 CG ASP A 11 0.765 -2.050 -21.326 1.00 0.00 C ATOM 117 OD1 ASP A 11 1.263 -2.276 -22.449 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.104 -1.176 -21.126 1.00 0.00 O ATOM 0 H ASP A 11 3.031 -3.435 -17.829 1.00 0.00 H new ATOM 0 HA ASP A 11 3.197 -2.011 -20.364 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.384 -3.908 -20.464 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.473 -2.881 -19.375 1.00 0.00 H new ATOM 123 N PHE A 12 2.763 0.013 -19.030 1.00 0.00 N ATOM 124 CA PHE A 12 2.562 1.227 -18.246 1.00 0.00 C ATOM 125 C PHE A 12 1.078 1.474 -17.995 1.00 0.00 C ATOM 126 O PHE A 12 0.284 1.555 -18.931 1.00 0.00 O ATOM 127 CB PHE A 12 3.176 2.431 -18.965 1.00 0.00 C ATOM 128 CG PHE A 12 2.730 3.753 -18.408 1.00 0.00 C ATOM 129 CD1 PHE A 12 3.251 4.229 -17.216 1.00 0.00 C ATOM 130 CD2 PHE A 12 1.788 4.519 -19.077 1.00 0.00 C ATOM 131 CE1 PHE A 12 2.844 5.445 -16.702 1.00 0.00 C ATOM 132 CE2 PHE A 12 1.378 5.736 -18.567 1.00 0.00 C ATOM 133 CZ PHE A 12 1.905 6.200 -17.379 1.00 0.00 C ATOM 0 H PHE A 12 3.310 0.145 -19.881 1.00 0.00 H new ATOM 0 HA PHE A 12 3.058 1.094 -17.284 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.262 2.367 -18.902 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.915 2.385 -20.022 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.984 3.643 -16.682 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.370 4.161 -20.006 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.259 5.805 -15.772 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.645 6.324 -19.098 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.584 7.151 -16.979 1.00 0.00 H new ATOM 143 N ALA A 13 0.710 1.590 -16.722 1.00 0.00 N ATOM 144 CA ALA A 13 -0.677 1.828 -16.347 1.00 0.00 C ATOM 145 C ALA A 13 -0.767 2.732 -15.122 1.00 0.00 C ATOM 146 O ALA A 13 0.140 2.784 -14.291 1.00 0.00 O ATOM 147 CB ALA A 13 -1.386 0.508 -16.085 1.00 0.00 C ATOM 0 H ALA A 13 1.354 1.523 -15.934 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.171 2.335 -17.176 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.422 0.701 -15.806 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.361 -0.104 -16.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.884 -0.020 -15.274 1.00 0.00 H new ATOM 153 N PRO A 14 -1.886 3.463 -15.005 1.00 0.00 N ATOM 154 CA PRO A 14 -2.119 4.379 -13.885 1.00 0.00 C ATOM 155 C PRO A 14 -2.349 3.640 -12.571 1.00 0.00 C ATOM 156 O PRO A 14 -2.379 2.411 -12.538 1.00 0.00 O ATOM 157 CB PRO A 14 -3.384 5.134 -14.302 1.00 0.00 C ATOM 158 CG PRO A 14 -4.087 4.209 -15.235 1.00 0.00 C ATOM 159 CD PRO A 14 -3.007 3.452 -15.958 1.00 0.00 C ATOM 0 HA PRO A 14 -1.261 5.026 -13.701 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.005 5.373 -13.439 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.139 6.078 -14.790 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.743 3.529 -14.691 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.712 4.762 -15.936 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.320 2.436 -16.198 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.740 3.934 -16.899 1.00 0.00 H new ATOM 167 N GLN A 15 -2.511 4.399 -11.492 1.00 0.00 N ATOM 168 CA GLN A 15 -2.737 3.814 -10.175 1.00 0.00 C ATOM 169 C GLN A 15 -3.975 4.416 -9.517 1.00 0.00 C ATOM 170 O GLN A 15 -4.054 5.627 -9.310 1.00 0.00 O ATOM 171 CB GLN A 15 -1.516 4.028 -9.281 1.00 0.00 C ATOM 172 CG GLN A 15 -0.399 3.025 -9.524 1.00 0.00 C ATOM 173 CD GLN A 15 -0.734 1.641 -9.003 1.00 0.00 C ATOM 174 OE1 GLN A 15 -0.459 1.317 -7.848 1.00 0.00 O ATOM 175 NE2 GLN A 15 -1.333 0.817 -9.854 1.00 0.00 N ATOM 0 H GLN A 15 -2.490 5.419 -11.503 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.900 2.744 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.130 5.035 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.825 3.969 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.194 2.967 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.513 3.379 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.542 1.128 -10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.584 -0.127 -9.559 1.00 0.00 H new ATOM 184 N LYS A 16 -4.940 3.563 -9.191 1.00 0.00 N ATOM 185 CA LYS A 16 -6.174 4.009 -8.556 1.00 0.00 C ATOM 186 C LYS A 16 -6.105 3.829 -7.043 1.00 0.00 C ATOM 187 O LYS A 16 -5.301 3.043 -6.538 1.00 0.00 O ATOM 188 CB LYS A 16 -7.369 3.236 -9.118 1.00 0.00 C ATOM 189 CG LYS A 16 -7.891 3.793 -10.432 1.00 0.00 C ATOM 190 CD LYS A 16 -8.572 5.138 -10.236 1.00 0.00 C ATOM 191 CE LYS A 16 -9.098 5.692 -11.550 1.00 0.00 C ATOM 192 NZ LYS A 16 -10.158 6.716 -11.335 1.00 0.00 N ATOM 0 H LYS A 16 -4.891 2.558 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.301 5.070 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.082 2.195 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.175 3.245 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.066 3.901 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.596 3.088 -10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.395 5.031 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.866 5.844 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.276 6.133 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.497 4.877 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.491 7.069 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.954 6.289 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.770 7.506 -10.780 1.00 0.00 H new ATOM 206 N PHE A 17 -6.950 4.559 -6.325 1.00 0.00 N ATOM 207 CA PHE A 17 -6.984 4.479 -4.870 1.00 0.00 C ATOM 208 C PHE A 17 -8.374 4.086 -4.379 1.00 0.00 C ATOM 209 O PHE A 17 -9.342 4.826 -4.559 1.00 0.00 O ATOM 210 CB PHE A 17 -6.574 5.818 -4.254 1.00 0.00 C ATOM 211 CG PHE A 17 -7.439 6.967 -4.689 1.00 0.00 C ATOM 212 CD1 PHE A 17 -7.201 7.616 -5.890 1.00 0.00 C ATOM 213 CD2 PHE A 17 -8.489 7.400 -3.896 1.00 0.00 C ATOM 214 CE1 PHE A 17 -7.994 8.673 -6.291 1.00 0.00 C ATOM 215 CE2 PHE A 17 -9.286 8.457 -4.291 1.00 0.00 C ATOM 216 CZ PHE A 17 -9.039 9.094 -5.492 1.00 0.00 C ATOM 0 H PHE A 17 -7.621 5.213 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.276 3.711 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.612 5.736 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.539 6.031 -4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.386 7.291 -6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.687 6.905 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.797 9.170 -7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.101 8.785 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.662 9.919 -5.805 1.00 0.00 H new ATOM 226 N LYS A 18 -8.467 2.914 -3.758 1.00 0.00 N ATOM 227 CA LYS A 18 -9.737 2.420 -3.240 1.00 0.00 C ATOM 228 C LYS A 18 -9.973 2.916 -1.816 1.00 0.00 C ATOM 229 O LYS A 18 -9.074 3.472 -1.187 1.00 0.00 O ATOM 230 CB LYS A 18 -9.763 0.890 -3.270 1.00 0.00 C ATOM 231 CG LYS A 18 -11.141 0.302 -3.024 1.00 0.00 C ATOM 232 CD LYS A 18 -11.228 -1.136 -3.510 1.00 0.00 C ATOM 233 CE LYS A 18 -11.232 -1.212 -5.028 1.00 0.00 C ATOM 234 NZ LYS A 18 -11.795 -2.501 -5.518 1.00 0.00 N ATOM 0 H LYS A 18 -7.677 2.289 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.535 2.803 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.398 0.547 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.074 0.508 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.370 0.342 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.892 0.906 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.385 -1.705 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.134 -1.599 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.815 -0.384 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.214 -1.096 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.780 -2.513 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.224 -3.290 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.775 -2.601 -5.185 1.00 0.00 H new ATOM 248 N GLU A 19 -11.188 2.709 -1.317 1.00 0.00 N ATOM 249 CA GLU A 19 -11.541 3.134 0.033 1.00 0.00 C ATOM 250 C GLU A 19 -11.179 2.059 1.054 1.00 0.00 C ATOM 251 O GLU A 19 -11.714 0.951 1.022 1.00 0.00 O ATOM 252 CB GLU A 19 -13.035 3.451 0.117 1.00 0.00 C ATOM 253 CG GLU A 19 -13.414 4.275 1.337 1.00 0.00 C ATOM 254 CD GLU A 19 -13.523 3.437 2.596 1.00 0.00 C ATOM 255 OE1 GLU A 19 -13.799 2.225 2.479 1.00 0.00 O ATOM 256 OE2 GLU A 19 -13.332 3.994 3.696 1.00 0.00 O ATOM 0 H GLU A 19 -11.943 2.250 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.972 4.035 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.335 3.989 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.596 2.517 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.669 5.056 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.366 4.773 1.153 1.00 0.00 H new ATOM 263 N LYS A 20 -10.267 2.395 1.959 1.00 0.00 N ATOM 264 CA LYS A 20 -9.832 1.461 2.991 1.00 0.00 C ATOM 265 C LYS A 20 -10.348 1.887 4.363 1.00 0.00 C ATOM 266 O LYS A 20 -10.865 2.993 4.528 1.00 0.00 O ATOM 267 CB LYS A 20 -8.304 1.370 3.016 1.00 0.00 C ATOM 268 CG LYS A 20 -7.700 0.946 1.688 1.00 0.00 C ATOM 269 CD LYS A 20 -6.217 0.641 1.823 1.00 0.00 C ATOM 270 CE LYS A 20 -5.553 0.495 0.463 1.00 0.00 C ATOM 271 NZ LYS A 20 -5.616 1.758 -0.324 1.00 0.00 N ATOM 0 H LYS A 20 -9.814 3.308 1.999 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.245 0.480 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.895 2.340 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.003 0.660 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.221 0.065 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.844 1.737 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.730 1.439 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.084 -0.277 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.512 0.202 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.040 -0.305 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.889 1.740 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.556 1.849 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.447 2.568 0.306 1.00 0.00 H new ATOM 285 N THR A 21 -10.204 1.004 5.345 1.00 0.00 N ATOM 286 CA THR A 21 -10.656 1.288 6.702 1.00 0.00 C ATOM 287 C THR A 21 -9.481 1.328 7.675 1.00 0.00 C ATOM 288 O THR A 21 -8.374 0.911 7.340 1.00 0.00 O ATOM 289 CB THR A 21 -11.673 0.238 7.187 1.00 0.00 C ATOM 290 OG1 THR A 21 -12.260 0.661 8.423 1.00 0.00 O ATOM 291 CG2 THR A 21 -11.007 -1.116 7.372 1.00 0.00 C ATOM 0 H THR A 21 -9.778 0.085 5.227 1.00 0.00 H new ATOM 0 HA THR A 21 -11.138 2.265 6.677 1.00 0.00 H new ATOM 0 HB THR A 21 -12.451 0.140 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.731 0.315 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.745 -1.841 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.587 -1.448 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.211 -1.032 8.111 1.00 0.00 H new ATOM 299 N GLN A 22 -9.733 1.833 8.877 1.00 0.00 N ATOM 300 CA GLN A 22 -8.697 1.928 9.897 1.00 0.00 C ATOM 301 C GLN A 22 -8.082 0.561 10.178 1.00 0.00 C ATOM 302 O GLN A 22 -6.909 0.457 10.535 1.00 0.00 O ATOM 303 CB GLN A 22 -9.272 2.517 11.187 1.00 0.00 C ATOM 304 CG GLN A 22 -10.235 1.585 11.905 1.00 0.00 C ATOM 305 CD GLN A 22 -11.667 1.756 11.439 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.293 0.809 10.959 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.196 2.965 11.580 1.00 0.00 N ATOM 0 H GLN A 22 -10.646 2.183 9.169 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.915 2.588 9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.452 2.767 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.787 3.449 10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.925 0.553 11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.181 1.769 12.978 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.641 3.721 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.157 3.139 11.286 1.00 0.00 H new ATOM 316 N GLY A 23 -8.885 -0.487 10.015 1.00 0.00 N ATOM 317 CA GLY A 23 -8.403 -1.834 10.257 1.00 0.00 C ATOM 318 C GLY A 23 -7.217 -2.192 9.381 1.00 0.00 C ATOM 319 O GLY A 23 -6.179 -2.626 9.879 1.00 0.00 O ATOM 0 H GLY A 23 -9.860 -0.427 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.120 -1.932 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.211 -2.543 10.077 1.00 0.00 H new ATOM 323 N GLN A 24 -7.374 -2.011 8.073 1.00 0.00 N ATOM 324 CA GLN A 24 -6.309 -2.319 7.128 1.00 0.00 C ATOM 325 C GLN A 24 -5.093 -1.431 7.368 1.00 0.00 C ATOM 326 O GLN A 24 -3.995 -1.920 7.633 1.00 0.00 O ATOM 327 CB GLN A 24 -6.808 -2.147 5.692 1.00 0.00 C ATOM 328 CG GLN A 24 -7.845 -3.177 5.280 1.00 0.00 C ATOM 329 CD GLN A 24 -8.652 -2.742 4.071 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.877 -2.635 4.134 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.967 -2.490 2.962 1.00 0.00 N ATOM 0 H GLN A 24 -8.228 -1.653 7.645 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.012 -3.357 7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.235 -1.150 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.959 -2.207 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.346 -4.121 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.520 -3.361 6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.952 -2.592 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.456 -2.195 2.117 1.00 0.00 H new ATOM 340 N VAL A 25 -5.296 -0.121 7.272 1.00 0.00 N ATOM 341 CA VAL A 25 -4.217 0.838 7.478 1.00 0.00 C ATOM 342 C VAL A 25 -3.479 0.562 8.783 1.00 0.00 C ATOM 343 O VAL A 25 -2.252 0.636 8.844 1.00 0.00 O ATOM 344 CB VAL A 25 -4.745 2.284 7.496 1.00 0.00 C ATOM 345 CG1 VAL A 25 -3.609 3.265 7.740 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.468 2.603 6.196 1.00 0.00 C ATOM 0 H VAL A 25 -6.198 0.301 7.053 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.528 0.722 6.642 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.458 2.382 8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.002 4.282 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.141 3.048 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.869 3.169 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.835 3.629 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.779 2.488 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.309 1.921 6.070 1.00 0.00 H new ATOM 356 N LYS A 26 -4.236 0.240 9.827 1.00 0.00 N ATOM 357 CA LYS A 26 -3.656 -0.050 11.133 1.00 0.00 C ATOM 358 C LYS A 26 -2.572 -1.117 11.021 1.00 0.00 C ATOM 359 O LYS A 26 -1.515 -1.009 11.646 1.00 0.00 O ATOM 360 CB LYS A 26 -4.744 -0.513 12.105 1.00 0.00 C ATOM 361 CG LYS A 26 -4.219 -0.844 13.492 1.00 0.00 C ATOM 362 CD LYS A 26 -3.810 0.409 14.248 1.00 0.00 C ATOM 363 CE LYS A 26 -3.392 0.088 15.675 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.550 0.117 16.610 1.00 0.00 N ATOM 0 H LYS A 26 -5.253 0.173 9.794 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.203 0.865 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.501 0.267 12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.237 -1.393 11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.986 -1.375 14.055 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.364 -1.514 13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.986 0.897 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.641 1.115 14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.926 -0.897 15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.641 0.806 16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.225 -0.107 17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.980 1.064 16.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.255 -0.586 16.311 1.00 0.00 H new ATOM 378 N ILE A 27 -2.838 -2.145 10.223 1.00 0.00 N ATOM 379 CA ILE A 27 -1.884 -3.229 10.029 1.00 0.00 C ATOM 380 C ILE A 27 -0.600 -2.721 9.378 1.00 0.00 C ATOM 381 O ILE A 27 0.501 -3.104 9.771 1.00 0.00 O ATOM 382 CB ILE A 27 -2.477 -4.353 9.159 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.743 -4.915 9.810 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.451 -5.455 8.945 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.590 -5.742 8.867 1.00 0.00 C ATOM 0 H ILE A 27 -3.707 -2.250 9.700 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.655 -3.628 11.017 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.743 -3.939 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.460 -5.529 10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.342 -4.089 10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.885 -6.242 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.574 -5.044 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.157 -5.870 9.909 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.470 -6.108 9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.903 -5.126 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.008 -6.588 8.502 1.00 0.00 H new ATOM 397 N LEU A 28 -0.752 -1.858 8.381 1.00 0.00 N ATOM 398 CA LEU A 28 0.393 -1.295 7.675 1.00 0.00 C ATOM 399 C LEU A 28 1.147 -0.306 8.560 1.00 0.00 C ATOM 400 O LEU A 28 2.320 -0.507 8.871 1.00 0.00 O ATOM 401 CB LEU A 28 -0.062 -0.601 6.389 1.00 0.00 C ATOM 402 CG LEU A 28 -0.875 -1.458 5.417 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.355 -0.622 4.242 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.049 -2.641 4.931 1.00 0.00 C ATOM 0 H LEU A 28 -1.657 -1.532 8.043 1.00 0.00 H new ATOM 0 HA LEU A 28 1.066 -2.113 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.658 0.270 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.821 -0.232 5.867 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.749 -1.842 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.931 -1.248 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.983 0.191 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.495 -0.208 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.643 -3.240 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.843 -2.277 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.245 -3.254 5.783 1.00 0.00 H new ATOM 416 N GLU A 29 0.462 0.760 8.960 1.00 0.00 N ATOM 417 CA GLU A 29 1.066 1.780 9.811 1.00 0.00 C ATOM 418 C GLU A 29 1.981 1.145 10.854 1.00 0.00 C ATOM 419 O GLU A 29 3.050 1.674 11.163 1.00 0.00 O ATOM 420 CB GLU A 29 -0.019 2.605 10.504 1.00 0.00 C ATOM 421 CG GLU A 29 -0.484 3.803 9.695 1.00 0.00 C ATOM 422 CD GLU A 29 -1.410 4.714 10.477 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.617 4.402 10.560 1.00 0.00 O ATOM 424 OE2 GLU A 29 -0.929 5.738 11.004 1.00 0.00 O ATOM 0 H GLU A 29 -0.510 0.940 8.709 1.00 0.00 H new ATOM 0 HA GLU A 29 1.664 2.437 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.875 1.963 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.359 2.952 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.385 4.372 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.996 3.454 8.798 1.00 0.00 H new ATOM 431 N ASP A 30 1.556 0.007 11.393 1.00 0.00 N ATOM 432 CA ASP A 30 2.337 -0.700 12.401 1.00 0.00 C ATOM 433 C ASP A 30 3.697 -1.111 11.846 1.00 0.00 C ATOM 434 O ASP A 30 4.723 -0.943 12.503 1.00 0.00 O ATOM 435 CB ASP A 30 1.578 -1.935 12.890 1.00 0.00 C ATOM 436 CG ASP A 30 2.115 -2.460 14.208 1.00 0.00 C ATOM 437 OD1 ASP A 30 1.856 -1.822 15.249 1.00 0.00 O ATOM 438 OD2 ASP A 30 2.795 -3.507 14.195 1.00 0.00 O ATOM 0 H ASP A 30 0.675 -0.445 11.148 1.00 0.00 H new ATOM 0 HA ASP A 30 2.497 -0.024 13.241 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.522 -1.688 13.004 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.642 -2.720 12.136 1.00 0.00 H new ATOM 443 N SER A 31 3.696 -1.649 10.630 1.00 0.00 N ATOM 444 CA SER A 31 4.929 -2.089 9.988 1.00 0.00 C ATOM 445 C SER A 31 5.761 -0.893 9.534 1.00 0.00 C ATOM 446 O SER A 31 6.990 -0.906 9.628 1.00 0.00 O ATOM 447 CB SER A 31 4.613 -2.987 8.790 1.00 0.00 C ATOM 448 OG SER A 31 4.546 -4.348 9.177 1.00 0.00 O ATOM 0 H SER A 31 2.855 -1.790 10.070 1.00 0.00 H new ATOM 0 HA SER A 31 5.507 -2.657 10.717 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.665 -2.685 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.379 -2.861 8.025 1.00 0.00 H new ATOM 0 HG SER A 31 5.444 -4.668 9.404 1.00 0.00 H new ATOM 454 N PHE A 32 5.084 0.139 9.042 1.00 0.00 N ATOM 455 CA PHE A 32 5.760 1.344 8.574 1.00 0.00 C ATOM 456 C PHE A 32 6.284 2.165 9.748 1.00 0.00 C ATOM 457 O PHE A 32 7.493 2.325 9.918 1.00 0.00 O ATOM 458 CB PHE A 32 4.807 2.192 7.728 1.00 0.00 C ATOM 459 CG PHE A 32 5.488 3.322 7.011 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.318 3.074 5.929 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.298 4.633 7.417 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.945 4.111 5.267 1.00 0.00 C ATOM 463 CE2 PHE A 32 5.922 5.675 6.759 1.00 0.00 C ATOM 464 CZ PHE A 32 6.750 5.415 5.682 1.00 0.00 C ATOM 0 H PHE A 32 4.068 0.165 8.957 1.00 0.00 H new ATOM 0 HA PHE A 32 6.608 1.040 7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.316 1.551 6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.026 2.598 8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.476 2.058 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.654 4.843 8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.588 3.903 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.763 6.692 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.242 6.227 5.168 1.00 0.00 H new ATOM 474 N LEU A 33 5.367 2.685 10.555 1.00 0.00 N ATOM 475 CA LEU A 33 5.735 3.490 11.714 1.00 0.00 C ATOM 476 C LEU A 33 6.896 2.856 12.472 1.00 0.00 C ATOM 477 O LEU A 33 7.743 3.555 13.030 1.00 0.00 O ATOM 478 CB LEU A 33 4.533 3.657 12.647 1.00 0.00 C ATOM 479 CG LEU A 33 3.413 4.567 12.143 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.124 4.299 12.905 1.00 0.00 C ATOM 481 CD2 LEU A 33 3.817 6.029 12.269 1.00 0.00 C ATOM 0 H LEU A 33 4.362 2.564 10.428 1.00 0.00 H new ATOM 0 HA LEU A 33 6.050 4.471 11.358 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.112 2.671 12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.890 4.047 13.600 1.00 0.00 H new ATOM 0 HG LEU A 33 3.239 4.349 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.338 4.956 12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.826 3.260 12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.283 4.489 13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.008 6.663 11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.019 6.262 13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.714 6.211 11.677 1.00 0.00 H new ATOM 493 N LYS A 34 6.934 1.528 12.484 1.00 0.00 N ATOM 494 CA LYS A 34 7.994 0.798 13.168 1.00 0.00 C ATOM 495 C LYS A 34 9.189 0.582 12.247 1.00 0.00 C ATOM 496 O LYS A 34 10.338 0.604 12.687 1.00 0.00 O ATOM 497 CB LYS A 34 7.472 -0.551 13.669 1.00 0.00 C ATOM 498 CG LYS A 34 7.441 -1.627 12.598 1.00 0.00 C ATOM 499 CD LYS A 34 6.904 -2.940 13.140 1.00 0.00 C ATOM 500 CE LYS A 34 8.006 -3.766 13.790 1.00 0.00 C ATOM 501 NZ LYS A 34 8.776 -4.551 12.786 1.00 0.00 N ATOM 0 H LYS A 34 6.242 0.935 12.027 1.00 0.00 H new ATOM 0 HA LYS A 34 8.319 1.394 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.098 -0.890 14.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.466 -0.417 14.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.820 -1.295 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.446 -1.779 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.119 -2.740 13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.449 -3.511 12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.683 -3.106 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.568 -4.444 14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.516 -5.100 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.135 -5.199 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.215 -3.903 12.102 1.00 0.00 H new ATOM 515 N SER A 35 8.911 0.375 10.963 1.00 0.00 N ATOM 516 CA SER A 35 9.963 0.153 9.978 1.00 0.00 C ATOM 517 C SER A 35 9.532 0.646 8.601 1.00 0.00 C ATOM 518 O SER A 35 8.764 -0.018 7.905 1.00 0.00 O ATOM 519 CB SER A 35 10.324 -1.333 9.912 1.00 0.00 C ATOM 520 OG SER A 35 11.139 -1.711 11.008 1.00 0.00 O ATOM 0 H SER A 35 7.965 0.357 10.581 1.00 0.00 H new ATOM 0 HA SER A 35 10.841 0.719 10.288 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.413 -1.932 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.846 -1.542 8.978 1.00 0.00 H new ATOM 0 HG SER A 35 11.126 -1.002 11.685 1.00 0.00 H new ATOM 526 N SER A 36 10.033 1.815 8.216 1.00 0.00 N ATOM 527 CA SER A 36 9.697 2.401 6.923 1.00 0.00 C ATOM 528 C SER A 36 9.812 1.362 5.809 1.00 0.00 C ATOM 529 O SER A 36 8.913 1.225 4.979 1.00 0.00 O ATOM 530 CB SER A 36 10.613 3.589 6.623 1.00 0.00 C ATOM 531 OG SER A 36 11.977 3.208 6.682 1.00 0.00 O ATOM 0 H SER A 36 10.672 2.375 8.780 1.00 0.00 H new ATOM 0 HA SER A 36 8.665 2.749 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.386 3.987 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.424 4.388 7.340 1.00 0.00 H new ATOM 0 HG SER A 36 12.542 3.984 6.485 1.00 0.00 H new ATOM 537 N PHE A 37 10.924 0.636 5.800 1.00 0.00 N ATOM 538 CA PHE A 37 11.157 -0.389 4.789 1.00 0.00 C ATOM 539 C PHE A 37 11.034 -1.786 5.392 1.00 0.00 C ATOM 540 O PHE A 37 11.936 -2.281 6.066 1.00 0.00 O ATOM 541 CB PHE A 37 12.544 -0.213 4.165 1.00 0.00 C ATOM 542 CG PHE A 37 12.548 0.680 2.958 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.327 2.042 3.085 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.774 0.158 1.694 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.329 2.866 1.976 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.778 0.978 0.580 1.00 0.00 C ATOM 547 CZ PHE A 37 12.556 2.333 0.722 1.00 0.00 C ATOM 0 H PHE A 37 11.677 0.738 6.480 1.00 0.00 H new ATOM 0 HA PHE A 37 10.399 -0.278 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.221 0.198 4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.935 -1.191 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.151 2.465 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.949 -0.901 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.153 3.926 2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.955 0.559 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.560 2.975 -0.146 1.00 0.00 H new ATOM 557 N PRO A 38 9.887 -2.436 5.144 1.00 0.00 N ATOM 558 CA PRO A 38 9.616 -3.783 5.652 1.00 0.00 C ATOM 559 C PRO A 38 10.477 -4.843 4.975 1.00 0.00 C ATOM 560 O PRO A 38 11.310 -4.530 4.123 1.00 0.00 O ATOM 561 CB PRO A 38 8.139 -3.999 5.314 1.00 0.00 C ATOM 562 CG PRO A 38 7.882 -3.104 4.151 1.00 0.00 C ATOM 563 CD PRO A 38 8.767 -1.905 4.348 1.00 0.00 C ATOM 0 HA PRO A 38 9.842 -3.870 6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.938 -5.041 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.498 -3.745 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.111 -3.608 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.833 -2.812 4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.108 -1.496 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.247 -1.103 4.871 1.00 0.00 H new ATOM 571 N THR A 39 10.273 -6.100 5.357 1.00 0.00 N ATOM 572 CA THR A 39 11.032 -7.205 4.786 1.00 0.00 C ATOM 573 C THR A 39 10.129 -8.134 3.981 1.00 0.00 C ATOM 574 O THR A 39 8.931 -8.229 4.242 1.00 0.00 O ATOM 575 CB THR A 39 11.742 -8.023 5.882 1.00 0.00 C ATOM 576 OG1 THR A 39 12.501 -9.083 5.287 1.00 0.00 O ATOM 577 CG2 THR A 39 10.735 -8.602 6.864 1.00 0.00 C ATOM 0 H THR A 39 9.588 -6.378 6.060 1.00 0.00 H new ATOM 0 HA THR A 39 11.780 -6.767 4.126 1.00 0.00 H new ATOM 0 HB THR A 39 12.412 -7.357 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.951 -9.597 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.260 -9.175 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.180 -7.791 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.043 -9.255 6.333 1.00 0.00 H new ATOM 585 N GLN A 40 10.714 -8.815 3.002 1.00 0.00 N ATOM 586 CA GLN A 40 9.960 -9.736 2.158 1.00 0.00 C ATOM 587 C GLN A 40 8.901 -10.474 2.968 1.00 0.00 C ATOM 588 O GLN A 40 7.705 -10.341 2.711 1.00 0.00 O ATOM 589 CB GLN A 40 10.905 -10.740 1.494 1.00 0.00 C ATOM 590 CG GLN A 40 11.881 -10.105 0.517 1.00 0.00 C ATOM 591 CD GLN A 40 11.189 -9.266 -0.538 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.241 -9.716 -1.182 1.00 0.00 O ATOM 593 NE2 GLN A 40 11.659 -8.037 -0.722 1.00 0.00 N ATOM 0 H GLN A 40 11.706 -8.747 2.773 1.00 0.00 H new ATOM 0 HA GLN A 40 9.458 -9.154 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.467 -11.263 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.314 -11.489 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.585 -9.481 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.462 -10.888 0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.447 -7.704 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.232 -7.427 -1.419 1.00 0.00 H new ATOM 602 N ALA A 41 9.348 -11.253 3.947 1.00 0.00 N ATOM 603 CA ALA A 41 8.438 -12.011 4.796 1.00 0.00 C ATOM 604 C ALA A 41 7.313 -11.127 5.323 1.00 0.00 C ATOM 605 O ALA A 41 6.135 -11.443 5.161 1.00 0.00 O ATOM 606 CB ALA A 41 9.199 -12.646 5.952 1.00 0.00 C ATOM 0 H ALA A 41 10.335 -11.376 4.172 1.00 0.00 H new ATOM 0 HA ALA A 41 7.991 -12.801 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.507 -13.209 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.962 -13.318 5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.674 -11.866 6.547 1.00 0.00 H new ATOM 612 N GLU A 42 7.685 -10.018 5.956 1.00 0.00 N ATOM 613 CA GLU A 42 6.706 -9.090 6.507 1.00 0.00 C ATOM 614 C GLU A 42 5.710 -8.650 5.438 1.00 0.00 C ATOM 615 O GLU A 42 4.514 -8.928 5.536 1.00 0.00 O ATOM 616 CB GLU A 42 7.409 -7.865 7.100 1.00 0.00 C ATOM 617 CG GLU A 42 6.455 -6.857 7.717 1.00 0.00 C ATOM 618 CD GLU A 42 5.486 -7.493 8.696 1.00 0.00 C ATOM 619 OE1 GLU A 42 4.639 -8.297 8.256 1.00 0.00 O ATOM 620 OE2 GLU A 42 5.578 -7.185 9.903 1.00 0.00 O ATOM 0 H GLU A 42 8.656 -9.742 6.099 1.00 0.00 H new ATOM 0 HA GLU A 42 6.160 -9.605 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.117 -8.195 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.987 -7.374 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.029 -6.085 8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.893 -6.362 6.925 1.00 0.00 H new ATOM 627 N LEU A 43 6.211 -7.962 4.418 1.00 0.00 N ATOM 628 CA LEU A 43 5.367 -7.484 3.329 1.00 0.00 C ATOM 629 C LEU A 43 4.404 -8.572 2.867 1.00 0.00 C ATOM 630 O LEU A 43 3.186 -8.428 2.981 1.00 0.00 O ATOM 631 CB LEU A 43 6.229 -7.017 2.155 1.00 0.00 C ATOM 632 CG LEU A 43 6.640 -5.543 2.168 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.677 -5.270 1.090 1.00 0.00 C ATOM 634 CD2 LEU A 43 5.423 -4.650 1.981 1.00 0.00 C ATOM 0 H LEU A 43 7.198 -7.723 4.322 1.00 0.00 H new ATOM 0 HA LEU A 43 4.783 -6.642 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.133 -7.625 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.686 -7.214 1.231 1.00 0.00 H new ATOM 0 HG LEU A 43 7.086 -5.316 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.958 -4.217 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.559 -5.885 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.259 -5.512 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.733 -3.605 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.948 -4.877 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.714 -4.827 2.790 1.00 0.00 H new ATOM 646 N ASP A 44 4.957 -9.661 2.347 1.00 0.00 N ATOM 647 CA ASP A 44 4.149 -10.778 1.871 1.00 0.00 C ATOM 648 C ASP A 44 2.899 -10.949 2.729 1.00 0.00 C ATOM 649 O ASP A 44 1.815 -11.227 2.215 1.00 0.00 O ATOM 650 CB ASP A 44 4.968 -12.069 1.878 1.00 0.00 C ATOM 651 CG ASP A 44 4.102 -13.305 1.733 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.699 -13.617 0.592 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.829 -13.961 2.759 1.00 0.00 O ATOM 0 H ASP A 44 5.963 -9.795 2.244 1.00 0.00 H new ATOM 0 HA ASP A 44 3.840 -10.560 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.694 -12.040 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.533 -12.132 2.808 1.00 0.00 H new ATOM 658 N ARG A 45 3.059 -10.780 4.038 1.00 0.00 N ATOM 659 CA ARG A 45 1.944 -10.919 4.967 1.00 0.00 C ATOM 660 C ARG A 45 1.059 -9.675 4.943 1.00 0.00 C ATOM 661 O ARG A 45 -0.159 -9.770 4.794 1.00 0.00 O ATOM 662 CB ARG A 45 2.462 -11.161 6.384 1.00 0.00 C ATOM 663 CG ARG A 45 1.469 -11.884 7.280 1.00 0.00 C ATOM 664 CD ARG A 45 1.420 -13.372 6.973 1.00 0.00 C ATOM 665 NE ARG A 45 2.492 -14.104 7.643 1.00 0.00 N ATOM 666 CZ ARG A 45 2.432 -15.402 7.923 1.00 0.00 C ATOM 667 NH1 ARG A 45 1.358 -16.105 7.594 1.00 0.00 N ATOM 668 NH2 ARG A 45 3.447 -15.997 8.535 1.00 0.00 N ATOM 0 H ARG A 45 3.949 -10.547 4.478 1.00 0.00 H new ATOM 0 HA ARG A 45 1.347 -11.776 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.382 -11.743 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.717 -10.203 6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.745 -11.736 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.477 -11.452 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.456 -13.775 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.496 -13.523 5.896 1.00 0.00 H new ATOM 0 HE ARG A 45 3.332 -13.591 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.575 -15.650 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.314 -17.101 7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.275 -15.459 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.400 -16.993 8.750 1.00 0.00 H new ATOM 682 N LEU A 46 1.681 -8.510 5.092 1.00 0.00 N ATOM 683 CA LEU A 46 0.950 -7.247 5.088 1.00 0.00 C ATOM 684 C LEU A 46 -0.150 -7.259 4.032 1.00 0.00 C ATOM 685 O LEU A 46 -1.223 -6.690 4.234 1.00 0.00 O ATOM 686 CB LEU A 46 1.909 -6.083 4.831 1.00 0.00 C ATOM 687 CG LEU A 46 3.002 -5.870 5.878 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.796 -4.609 5.572 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.398 -5.796 7.273 1.00 0.00 C ATOM 0 H LEU A 46 2.689 -8.414 5.217 1.00 0.00 H new ATOM 0 HA LEU A 46 0.487 -7.119 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.386 -6.239 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.324 -5.167 4.754 1.00 0.00 H new ATOM 0 HG LEU A 46 3.682 -6.721 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.570 -4.474 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.260 -4.701 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.128 -3.748 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.191 -5.644 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.695 -4.964 7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.875 -6.727 7.493 1.00 0.00 H new ATOM 701 N ARG A 47 0.123 -7.909 2.906 1.00 0.00 N ATOM 702 CA ARG A 47 -0.844 -7.996 1.819 1.00 0.00 C ATOM 703 C ARG A 47 -2.055 -8.827 2.234 1.00 0.00 C ATOM 704 O ARG A 47 -3.170 -8.315 2.329 1.00 0.00 O ATOM 705 CB ARG A 47 -0.195 -8.606 0.577 1.00 0.00 C ATOM 706 CG ARG A 47 0.756 -7.660 -0.140 1.00 0.00 C ATOM 707 CD ARG A 47 1.467 -8.351 -1.292 1.00 0.00 C ATOM 708 NE ARG A 47 0.541 -8.743 -2.351 1.00 0.00 N ATOM 709 CZ ARG A 47 -0.108 -9.902 -2.370 1.00 0.00 C ATOM 710 NH1 ARG A 47 0.068 -10.779 -1.390 1.00 0.00 N ATOM 711 NH2 ARG A 47 -0.934 -10.186 -3.368 1.00 0.00 N ATOM 0 H ARG A 47 1.007 -8.384 2.723 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.181 -6.986 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.349 -9.505 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.977 -8.916 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.201 -6.801 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.493 -7.278 0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.225 -7.684 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.987 -9.234 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 47 0.384 -8.090 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.702 -10.564 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.431 -11.668 -1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.072 -9.514 -4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.431 -11.076 -3.381 1.00 0.00 H new ATOM 725 N VAL A 48 -1.827 -10.114 2.476 1.00 0.00 N ATOM 726 CA VAL A 48 -2.898 -11.018 2.881 1.00 0.00 C ATOM 727 C VAL A 48 -3.677 -10.452 4.063 1.00 0.00 C ATOM 728 O VAL A 48 -4.904 -10.525 4.102 1.00 0.00 O ATOM 729 CB VAL A 48 -2.349 -12.405 3.259 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.157 -12.273 4.194 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.441 -13.256 3.890 1.00 0.00 C ATOM 0 H VAL A 48 -0.910 -10.554 2.399 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.565 -11.121 2.025 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.012 -12.902 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.783 -13.265 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.369 -11.704 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.463 -11.755 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.035 -14.233 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.811 -12.765 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.260 -13.381 3.182 1.00 0.00 H new ATOM 741 N GLU A 49 -2.954 -9.887 5.025 1.00 0.00 N ATOM 742 CA GLU A 49 -3.579 -9.310 6.210 1.00 0.00 C ATOM 743 C GLU A 49 -4.637 -8.281 5.820 1.00 0.00 C ATOM 744 O GLU A 49 -5.825 -8.461 6.090 1.00 0.00 O ATOM 745 CB GLU A 49 -2.522 -8.657 7.103 1.00 0.00 C ATOM 746 CG GLU A 49 -1.473 -9.628 7.614 1.00 0.00 C ATOM 747 CD GLU A 49 -0.952 -9.256 8.989 1.00 0.00 C ATOM 748 OE1 GLU A 49 -0.111 -8.337 9.075 1.00 0.00 O ATOM 749 OE2 GLU A 49 -1.386 -9.882 9.978 1.00 0.00 O ATOM 0 H GLU A 49 -1.937 -9.816 5.007 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.065 -10.114 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.028 -7.862 6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.017 -8.189 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.899 -10.631 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.641 -9.660 6.911 1.00 0.00 H new ATOM 756 N THR A 50 -4.198 -7.200 5.183 1.00 0.00 N ATOM 757 CA THR A 50 -5.104 -6.142 4.756 1.00 0.00 C ATOM 758 C THR A 50 -5.848 -6.534 3.485 1.00 0.00 C ATOM 759 O THR A 50 -6.725 -5.808 3.018 1.00 0.00 O ATOM 760 CB THR A 50 -4.351 -4.821 4.511 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.429 -4.978 3.426 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.600 -4.385 5.761 1.00 0.00 C ATOM 0 H THR A 50 -3.219 -7.034 4.951 1.00 0.00 H new ATOM 0 HA THR A 50 -5.822 -5.997 5.563 1.00 0.00 H new ATOM 0 HB THR A 50 -5.082 -4.053 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.696 -5.568 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.076 -3.450 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.307 -4.239 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.878 -5.153 6.039 1.00 0.00 H new ATOM 770 N LYS A 51 -5.492 -7.686 2.929 1.00 0.00 N ATOM 771 CA LYS A 51 -6.126 -8.177 1.711 1.00 0.00 C ATOM 772 C LYS A 51 -5.810 -7.268 0.529 1.00 0.00 C ATOM 773 O LYS A 51 -6.699 -6.903 -0.243 1.00 0.00 O ATOM 774 CB LYS A 51 -7.641 -8.272 1.903 1.00 0.00 C ATOM 775 CG LYS A 51 -8.050 -9.125 3.092 1.00 0.00 C ATOM 776 CD LYS A 51 -7.866 -10.606 2.806 1.00 0.00 C ATOM 777 CE LYS A 51 -8.397 -11.464 3.944 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.431 -11.546 5.075 1.00 0.00 N ATOM 0 H LYS A 51 -4.767 -8.298 3.303 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.729 -9.170 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.047 -7.268 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.088 -8.685 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.457 -8.845 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.093 -8.928 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.382 -10.866 1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.808 -10.819 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.340 -11.050 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.609 -12.467 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.345 -12.534 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.501 -11.199 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.771 -10.962 5.865 1.00 0.00 H new ATOM 792 N LEU A 52 -4.540 -6.904 0.389 1.00 0.00 N ATOM 793 CA LEU A 52 -4.106 -6.037 -0.701 1.00 0.00 C ATOM 794 C LEU A 52 -3.023 -6.713 -1.536 1.00 0.00 C ATOM 795 O LEU A 52 -2.550 -7.797 -1.196 1.00 0.00 O ATOM 796 CB LEU A 52 -3.585 -4.710 -0.147 1.00 0.00 C ATOM 797 CG LEU A 52 -4.553 -3.926 0.741 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.853 -2.735 1.373 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.764 -3.472 -0.061 1.00 0.00 C ATOM 0 H LEU A 52 -3.792 -7.196 1.018 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.966 -5.843 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.679 -4.909 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.299 -4.076 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.897 -4.584 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.558 -2.190 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.019 -3.084 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.479 -2.075 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.442 -2.916 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.438 -2.832 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.281 -4.343 -0.464 1.00 0.00 H new ATOM 811 N SER A 53 -2.635 -6.064 -2.630 1.00 0.00 N ATOM 812 CA SER A 53 -1.609 -6.603 -3.513 1.00 0.00 C ATOM 813 C SER A 53 -0.303 -5.827 -3.367 1.00 0.00 C ATOM 814 O SER A 53 -0.244 -4.816 -2.666 1.00 0.00 O ATOM 815 CB SER A 53 -2.084 -6.555 -4.967 1.00 0.00 C ATOM 816 OG SER A 53 -1.378 -7.491 -5.764 1.00 0.00 O ATOM 0 H SER A 53 -3.016 -5.165 -2.925 1.00 0.00 H new ATOM 0 HA SER A 53 -1.428 -7.640 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.152 -6.767 -5.011 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.941 -5.551 -5.367 1.00 0.00 H new ATOM 0 HG SER A 53 -1.700 -7.443 -6.688 1.00 0.00 H new ATOM 822 N ARG A 54 0.742 -6.309 -4.033 1.00 0.00 N ATOM 823 CA ARG A 54 2.047 -5.663 -3.976 1.00 0.00 C ATOM 824 C ARG A 54 1.942 -4.191 -4.364 1.00 0.00 C ATOM 825 O ARG A 54 2.415 -3.312 -3.640 1.00 0.00 O ATOM 826 CB ARG A 54 3.034 -6.377 -4.903 1.00 0.00 C ATOM 827 CG ARG A 54 3.796 -7.505 -4.228 1.00 0.00 C ATOM 828 CD ARG A 54 5.055 -6.996 -3.544 1.00 0.00 C ATOM 829 NE ARG A 54 6.138 -6.763 -4.497 1.00 0.00 N ATOM 830 CZ ARG A 54 6.953 -7.717 -4.933 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.808 -8.963 -4.505 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.914 -7.425 -5.799 1.00 0.00 N ATOM 0 H ARG A 54 0.710 -7.144 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 54 2.411 -5.726 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.491 -6.778 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.747 -5.649 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.153 -7.991 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.062 -8.259 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.831 -6.069 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.379 -7.719 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 54 6.276 -5.815 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.069 -9.191 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.435 -9.694 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.028 -6.467 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.539 -8.158 -6.133 1.00 0.00 H new ATOM 846 N ARG A 55 1.322 -3.928 -5.509 1.00 0.00 N ATOM 847 CA ARG A 55 1.157 -2.563 -5.993 1.00 0.00 C ATOM 848 C ARG A 55 0.460 -1.696 -4.948 1.00 0.00 C ATOM 849 O ARG A 55 0.892 -0.578 -4.669 1.00 0.00 O ATOM 850 CB ARG A 55 0.353 -2.555 -7.295 1.00 0.00 C ATOM 851 CG ARG A 55 1.022 -3.319 -8.427 1.00 0.00 C ATOM 852 CD ARG A 55 0.264 -3.148 -9.736 1.00 0.00 C ATOM 853 NE ARG A 55 0.480 -1.830 -10.325 1.00 0.00 N ATOM 854 CZ ARG A 55 0.187 -1.531 -11.585 1.00 0.00 C ATOM 855 NH1 ARG A 55 -0.333 -2.452 -12.384 1.00 0.00 N ATOM 856 NH2 ARG A 55 0.412 -0.307 -12.048 1.00 0.00 N ATOM 0 H ARG A 55 0.925 -4.643 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 55 2.147 -2.149 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.630 -2.986 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.194 -1.523 -7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.047 -2.968 -8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.076 -4.377 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.581 -3.916 -10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.801 -3.296 -9.560 1.00 0.00 H new ATOM 0 HE ARG A 55 0.878 -1.098 -9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.509 -3.393 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.557 -2.220 -13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.810 0.405 -11.435 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.187 -0.079 -13.016 1.00 0.00 H new ATOM 870 N GLU A 56 -0.617 -2.220 -4.374 1.00 0.00 N ATOM 871 CA GLU A 56 -1.374 -1.492 -3.361 1.00 0.00 C ATOM 872 C GLU A 56 -0.449 -0.964 -2.268 1.00 0.00 C ATOM 873 O GLU A 56 -0.358 0.244 -2.048 1.00 0.00 O ATOM 874 CB GLU A 56 -2.444 -2.396 -2.746 1.00 0.00 C ATOM 875 CG GLU A 56 -3.739 -2.431 -3.540 1.00 0.00 C ATOM 876 CD GLU A 56 -4.198 -1.051 -3.969 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.897 -0.384 -3.178 1.00 0.00 O ATOM 878 OE2 GLU A 56 -3.858 -0.638 -5.098 1.00 0.00 O ATOM 0 H GLU A 56 -0.986 -3.146 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.859 -0.644 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.050 -3.409 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.658 -2.055 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.603 -3.055 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.518 -2.898 -2.937 1.00 0.00 H new ATOM 885 N ILE A 57 0.234 -1.878 -1.587 1.00 0.00 N ATOM 886 CA ILE A 57 1.152 -1.504 -0.518 1.00 0.00 C ATOM 887 C ILE A 57 2.288 -0.634 -1.046 1.00 0.00 C ATOM 888 O ILE A 57 2.519 0.469 -0.550 1.00 0.00 O ATOM 889 CB ILE A 57 1.750 -2.745 0.171 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.645 -3.568 0.837 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.800 -2.332 1.192 1.00 0.00 C ATOM 892 CD1 ILE A 57 1.075 -4.970 1.206 1.00 0.00 C ATOM 0 H ILE A 57 0.169 -2.882 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 57 0.572 -0.937 0.210 1.00 0.00 H new ATOM 0 HB ILE A 57 2.232 -3.364 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.310 -3.051 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.211 -3.624 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.212 -3.221 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.599 -1.785 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.342 -1.694 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.242 -5.495 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.383 -5.505 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.911 -4.922 1.904 1.00 0.00 H new ATOM 904 N ASP A 58 2.990 -1.136 -2.055 1.00 0.00 N ATOM 905 CA ASP A 58 4.100 -0.402 -2.653 1.00 0.00 C ATOM 906 C ASP A 58 3.815 1.096 -2.670 1.00 0.00 C ATOM 907 O ASP A 58 4.567 1.889 -2.102 1.00 0.00 O ATOM 908 CB ASP A 58 4.359 -0.901 -4.075 1.00 0.00 C ATOM 909 CG ASP A 58 5.811 -0.749 -4.486 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.695 -1.059 -3.661 1.00 0.00 O ATOM 911 OD2 ASP A 58 6.063 -0.319 -5.631 1.00 0.00 O ATOM 0 H ASP A 58 2.811 -2.047 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 58 4.989 -0.577 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.072 -1.950 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.728 -0.349 -4.771 1.00 0.00 H new ATOM 916 N SER A 59 2.723 1.478 -3.327 1.00 0.00 N ATOM 917 CA SER A 59 2.342 2.883 -3.422 1.00 0.00 C ATOM 918 C SER A 59 2.084 3.472 -2.037 1.00 0.00 C ATOM 919 O SER A 59 2.550 4.565 -1.719 1.00 0.00 O ATOM 920 CB SER A 59 1.092 3.036 -4.292 1.00 0.00 C ATOM 921 OG SER A 59 0.051 2.186 -3.844 1.00 0.00 O ATOM 0 H SER A 59 2.088 0.835 -3.800 1.00 0.00 H new ATOM 0 HA SER A 59 3.167 3.427 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.754 4.072 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.336 2.802 -5.328 1.00 0.00 H new ATOM 0 HG SER A 59 0.418 1.512 -3.235 1.00 0.00 H new ATOM 927 N TRP A 60 1.340 2.737 -1.218 1.00 0.00 N ATOM 928 CA TRP A 60 1.021 3.185 0.132 1.00 0.00 C ATOM 929 C TRP A 60 2.282 3.595 0.882 1.00 0.00 C ATOM 930 O TRP A 60 2.379 4.713 1.390 1.00 0.00 O ATOM 931 CB TRP A 60 0.292 2.079 0.899 1.00 0.00 C ATOM 932 CG TRP A 60 -0.338 2.557 2.172 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.636 2.949 2.347 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.300 2.693 3.446 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.842 3.322 3.654 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.670 3.173 4.349 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.595 2.456 3.913 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.382 3.420 5.688 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.879 2.701 5.244 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.893 3.178 6.119 1.00 0.00 C ATOM 0 H TRP A 60 0.947 1.829 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 60 0.369 4.055 0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.479 1.650 0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.997 1.280 1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.389 2.963 1.573 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.724 3.655 4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.361 2.088 3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.139 3.790 6.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.877 2.522 5.616 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.145 3.358 7.154 1.00 0.00 H new ATOM 951 N PHE A 61 3.248 2.684 0.950 1.00 0.00 N ATOM 952 CA PHE A 61 4.504 2.953 1.641 1.00 0.00 C ATOM 953 C PHE A 61 5.292 4.050 0.929 1.00 0.00 C ATOM 954 O PHE A 61 5.687 5.041 1.543 1.00 0.00 O ATOM 955 CB PHE A 61 5.346 1.678 1.724 1.00 0.00 C ATOM 956 CG PHE A 61 4.964 0.780 2.865 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.709 0.192 2.911 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.858 0.524 3.893 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.354 -0.635 3.960 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.507 -0.301 4.946 1.00 0.00 C ATOM 961 CZ PHE A 61 4.254 -0.881 4.979 1.00 0.00 C ATOM 0 H PHE A 61 3.185 1.754 0.535 1.00 0.00 H new ATOM 0 HA PHE A 61 4.270 3.294 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.248 1.126 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.396 1.952 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.001 0.382 2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.840 0.974 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.374 -1.088 3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.212 -0.492 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.978 -1.526 5.800 1.00 0.00 H new ATOM 971 N SER A 62 5.515 3.864 -0.368 1.00 0.00 N ATOM 972 CA SER A 62 6.260 4.835 -1.161 1.00 0.00 C ATOM 973 C SER A 62 5.791 6.256 -0.860 1.00 0.00 C ATOM 974 O SER A 62 6.601 7.171 -0.719 1.00 0.00 O ATOM 975 CB SER A 62 6.097 4.538 -2.653 1.00 0.00 C ATOM 976 OG SER A 62 6.985 3.516 -3.069 1.00 0.00 O ATOM 0 H SER A 62 5.191 3.051 -0.892 1.00 0.00 H new ATOM 0 HA SER A 62 7.314 4.754 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.070 4.237 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.284 5.444 -3.230 1.00 0.00 H new ATOM 0 HG SER A 62 6.568 2.641 -2.923 1.00 0.00 H new ATOM 982 N GLU A 63 4.476 6.431 -0.764 1.00 0.00 N ATOM 983 CA GLU A 63 3.900 7.740 -0.482 1.00 0.00 C ATOM 984 C GLU A 63 4.012 8.075 1.004 1.00 0.00 C ATOM 985 O GLU A 63 4.415 9.177 1.373 1.00 0.00 O ATOM 986 CB GLU A 63 2.433 7.781 -0.915 1.00 0.00 C ATOM 987 CG GLU A 63 2.244 8.051 -2.397 1.00 0.00 C ATOM 988 CD GLU A 63 2.406 6.805 -3.245 1.00 0.00 C ATOM 989 OE1 GLU A 63 3.535 6.272 -3.304 1.00 0.00 O ATOM 990 OE2 GLU A 63 1.407 6.364 -3.850 1.00 0.00 O ATOM 0 H GLU A 63 3.791 5.684 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 63 4.460 8.484 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.962 6.830 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.916 8.553 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.252 8.471 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.965 8.802 -2.720 1.00 0.00 H new ATOM 997 N ARG A 64 3.651 7.113 1.849 1.00 0.00 N ATOM 998 CA ARG A 64 3.710 7.306 3.293 1.00 0.00 C ATOM 999 C ARG A 64 4.995 8.024 3.694 1.00 0.00 C ATOM 1000 O ARG A 64 4.978 8.931 4.526 1.00 0.00 O ATOM 1001 CB ARG A 64 3.618 5.959 4.012 1.00 0.00 C ATOM 1002 CG ARG A 64 2.989 6.048 5.394 1.00 0.00 C ATOM 1003 CD ARG A 64 1.506 6.372 5.310 1.00 0.00 C ATOM 1004 NE ARG A 64 0.879 6.409 6.629 1.00 0.00 N ATOM 1005 CZ ARG A 64 -0.382 6.775 6.831 1.00 0.00 C ATOM 1006 NH1 ARG A 64 -1.146 7.132 5.809 1.00 0.00 N ATOM 1007 NH2 ARG A 64 -0.881 6.783 8.061 1.00 0.00 N ATOM 0 H ARG A 64 3.315 6.195 1.559 1.00 0.00 H new ATOM 0 HA ARG A 64 2.863 7.926 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.036 5.269 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.619 5.537 4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.127 5.103 5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.498 6.815 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.373 7.335 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.006 5.626 4.692 1.00 0.00 H new ATOM 0 HE ARG A 64 1.439 6.140 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.767 7.127 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.114 7.412 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.296 6.508 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.849 7.064 8.217 1.00 0.00 H new ATOM 1021 N ARG A 65 6.109 7.608 3.100 1.00 0.00 N ATOM 1022 CA ARG A 65 7.403 8.210 3.397 1.00 0.00 C ATOM 1023 C ARG A 65 7.382 9.709 3.117 1.00 0.00 C ATOM 1024 O ARG A 65 7.811 10.513 3.947 1.00 0.00 O ATOM 1025 CB ARG A 65 8.502 7.541 2.568 1.00 0.00 C ATOM 1026 CG ARG A 65 8.985 6.222 3.149 1.00 0.00 C ATOM 1027 CD ARG A 65 10.283 5.768 2.499 1.00 0.00 C ATOM 1028 NE ARG A 65 11.437 6.500 3.013 1.00 0.00 N ATOM 1029 CZ ARG A 65 12.590 6.607 2.360 1.00 0.00 C ATOM 1030 NH1 ARG A 65 12.739 6.031 1.174 1.00 0.00 N ATOM 1031 NH2 ARG A 65 13.595 7.289 2.892 1.00 0.00 N ATOM 0 H ARG A 65 6.141 6.857 2.411 1.00 0.00 H new ATOM 0 HA ARG A 65 7.612 8.059 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.130 7.369 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.348 8.223 2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.133 6.329 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.220 5.459 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.423 4.701 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.216 5.907 1.420 1.00 0.00 H new ATOM 0 HE ARG A 65 11.354 6.954 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.968 5.505 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.624 6.114 0.674 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.484 7.733 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.479 7.370 2.389 1.00 0.00 H new ATOM 1045 N LYS A 66 6.884 10.081 1.944 1.00 0.00 N ATOM 1046 CA LYS A 66 6.806 11.483 1.554 1.00 0.00 C ATOM 1047 C LYS A 66 6.170 12.321 2.658 1.00 0.00 C ATOM 1048 O LYS A 66 6.677 13.385 3.015 1.00 0.00 O ATOM 1049 CB LYS A 66 6.003 11.631 0.259 1.00 0.00 C ATOM 1050 CG LYS A 66 6.831 11.435 -0.997 1.00 0.00 C ATOM 1051 CD LYS A 66 6.847 9.980 -1.434 1.00 0.00 C ATOM 1052 CE LYS A 66 8.065 9.668 -2.291 1.00 0.00 C ATOM 1053 NZ LYS A 66 7.943 10.245 -3.659 1.00 0.00 N ATOM 0 H LYS A 66 6.527 9.429 1.245 1.00 0.00 H new ATOM 0 HA LYS A 66 7.821 11.844 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.188 10.908 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.550 12.622 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.428 12.052 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.852 11.773 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.844 9.335 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.939 9.758 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.959 10.063 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.192 8.588 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.792 10.011 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.104 9.849 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.848 11.278 -3.593 1.00 0.00 H new ATOM 1067 N LEU A 67 5.057 11.834 3.198 1.00 0.00 N ATOM 1068 CA LEU A 67 4.353 12.537 4.264 1.00 0.00 C ATOM 1069 C LEU A 67 5.306 12.910 5.394 1.00 0.00 C ATOM 1070 O LEU A 67 5.489 14.088 5.700 1.00 0.00 O ATOM 1071 CB LEU A 67 3.214 11.670 4.807 1.00 0.00 C ATOM 1072 CG LEU A 67 2.265 11.078 3.765 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.355 10.039 4.401 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.445 12.178 3.105 1.00 0.00 C ATOM 0 H LEU A 67 4.624 10.955 2.915 1.00 0.00 H new ATOM 0 HA LEU A 67 3.938 13.455 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.649 10.851 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.628 12.270 5.503 1.00 0.00 H new ATOM 0 HG LEU A 67 2.861 10.586 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.687 9.629 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.959 9.237 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.766 10.506 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.775 11.739 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.859 12.699 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.113 12.885 2.614 1.00 0.00 H new ATOM 1086 N ARG A 68 5.913 11.899 6.006 1.00 0.00 N ATOM 1087 CA ARG A 68 6.850 12.123 7.102 1.00 0.00 C ATOM 1088 C ARG A 68 7.666 13.390 6.870 1.00 0.00 C ATOM 1089 O ARG A 68 7.730 14.266 7.733 1.00 0.00 O ATOM 1090 CB ARG A 68 7.786 10.921 7.254 1.00 0.00 C ATOM 1091 CG ARG A 68 8.352 10.763 8.655 1.00 0.00 C ATOM 1092 CD ARG A 68 8.629 9.304 8.983 1.00 0.00 C ATOM 1093 NE ARG A 68 8.904 9.105 10.403 1.00 0.00 N ATOM 1094 CZ ARG A 68 8.861 7.920 11.000 1.00 0.00 C ATOM 1095 NH1 ARG A 68 8.554 6.833 10.305 1.00 0.00 N ATOM 1096 NH2 ARG A 68 9.124 7.819 12.297 1.00 0.00 N ATOM 0 H ARG A 68 5.774 10.918 5.763 1.00 0.00 H new ATOM 0 HA ARG A 68 6.274 12.246 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.245 10.014 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.610 11.021 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.274 11.338 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.650 11.173 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.771 8.698 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.479 8.956 8.397 1.00 0.00 H new ATOM 0 HE ARG A 68 9.142 9.921 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.350 6.906 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.522 5.924 10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.359 8.652 12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.091 6.908 12.755 1.00 0.00 H new ATOM 1110 N ASP A 69 8.290 13.481 5.701 1.00 0.00 N ATOM 1111 CA ASP A 69 9.102 14.641 5.354 1.00 0.00 C ATOM 1112 C ASP A 69 8.228 15.876 5.154 1.00 0.00 C ATOM 1113 O ASP A 69 8.554 16.964 5.631 1.00 0.00 O ATOM 1114 CB ASP A 69 9.913 14.364 4.088 1.00 0.00 C ATOM 1115 CG ASP A 69 11.113 15.282 3.956 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.069 15.124 4.744 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.096 16.157 3.066 1.00 0.00 O ATOM 0 H ASP A 69 8.249 12.764 4.977 1.00 0.00 H new ATOM 0 HA ASP A 69 9.788 14.833 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.251 13.328 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.271 14.483 3.215 1.00 0.00 H new ATOM 1122 N SER A 70 7.118 15.700 4.445 1.00 0.00 N ATOM 1123 CA SER A 70 6.199 16.800 4.178 1.00 0.00 C ATOM 1124 C SER A 70 5.843 17.536 5.465 1.00 0.00 C ATOM 1125 O SER A 70 5.955 18.759 5.545 1.00 0.00 O ATOM 1126 CB SER A 70 4.927 16.279 3.506 1.00 0.00 C ATOM 1127 OG SER A 70 4.333 17.277 2.694 1.00 0.00 O ATOM 0 H SER A 70 6.833 14.806 4.045 1.00 0.00 H new ATOM 0 HA SER A 70 6.696 17.500 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.165 15.406 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.217 15.955 4.267 1.00 0.00 H new ATOM 0 HG SER A 70 3.523 16.918 2.275 1.00 0.00 H new ATOM 1133 N MET A 71 5.415 16.782 6.472 1.00 0.00 N ATOM 1134 CA MET A 71 5.043 17.362 7.758 1.00 0.00 C ATOM 1135 C MET A 71 6.273 17.871 8.500 1.00 0.00 C ATOM 1136 O MET A 71 7.273 17.164 8.619 1.00 0.00 O ATOM 1137 CB MET A 71 4.306 16.328 8.613 1.00 0.00 C ATOM 1138 CG MET A 71 5.154 15.118 8.966 1.00 0.00 C ATOM 1139 SD MET A 71 4.250 13.895 9.934 1.00 0.00 S ATOM 1140 CE MET A 71 5.489 13.434 11.142 1.00 0.00 C ATOM 0 H MET A 71 5.317 15.768 6.423 1.00 0.00 H new ATOM 0 HA MET A 71 4.380 18.206 7.571 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.966 16.804 9.533 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.416 15.995 8.079 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.517 14.654 8.049 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.030 15.444 9.527 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.078 12.682 11.815 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.361 13.027 10.631 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.782 14.313 11.716 1.00 0.00 H new ATOM 1150 N GLU A 72 6.192 19.102 8.996 1.00 0.00 N ATOM 1151 CA GLU A 72 7.302 19.704 9.727 1.00 0.00 C ATOM 1152 C GLU A 72 7.131 19.512 11.231 1.00 0.00 C ATOM 1153 O GLU A 72 6.043 19.188 11.705 1.00 0.00 O ATOM 1154 CB GLU A 72 7.405 21.196 9.400 1.00 0.00 C ATOM 1155 CG GLU A 72 6.322 22.039 10.051 1.00 0.00 C ATOM 1156 CD GLU A 72 6.210 23.420 9.437 1.00 0.00 C ATOM 1157 OE1 GLU A 72 6.367 23.535 8.204 1.00 0.00 O ATOM 1158 OE2 GLU A 72 5.964 24.386 10.190 1.00 0.00 O ATOM 0 H GLU A 72 5.371 19.701 8.905 1.00 0.00 H new ATOM 0 HA GLU A 72 8.221 19.206 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.380 21.563 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.354 21.327 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.364 21.526 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.533 22.135 11.116 1.00 0.00 H new ATOM 1165 N GLN A 73 8.215 19.714 11.974 1.00 0.00 N ATOM 1166 CA GLN A 73 8.186 19.562 13.424 1.00 0.00 C ATOM 1167 C GLN A 73 7.712 20.846 14.096 1.00 0.00 C ATOM 1168 O GLN A 73 8.466 21.811 14.214 1.00 0.00 O ATOM 1169 CB GLN A 73 9.572 19.180 13.945 1.00 0.00 C ATOM 1170 CG GLN A 73 9.665 19.159 15.463 1.00 0.00 C ATOM 1171 CD GLN A 73 11.055 19.494 15.965 1.00 0.00 C ATOM 1172 OE1 GLN A 73 12.049 19.282 15.269 1.00 0.00 O ATOM 1173 NE2 GLN A 73 11.135 20.020 17.183 1.00 0.00 N ATOM 0 H GLN A 73 9.123 19.983 11.596 1.00 0.00 H new ATOM 0 HA GLN A 73 7.483 18.766 13.667 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.838 18.196 13.559 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.306 19.885 13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.951 19.871 15.877 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.379 18.172 15.828 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.287 20.179 17.726 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.045 20.264 17.574 1.00 0.00 H new ATOM 1182 N ALA A 74 6.457 20.850 14.535 1.00 0.00 N ATOM 1183 CA ALA A 74 5.884 22.015 15.198 1.00 0.00 C ATOM 1184 C ALA A 74 5.629 21.737 16.675 1.00 0.00 C ATOM 1185 O ALA A 74 5.755 20.602 17.135 1.00 0.00 O ATOM 1186 CB ALA A 74 4.593 22.432 14.508 1.00 0.00 C ATOM 0 H ALA A 74 5.818 20.060 14.443 1.00 0.00 H new ATOM 0 HA ALA A 74 6.602 22.832 15.128 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.175 23.303 15.013 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.801 22.681 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.877 21.611 14.549 1.00 0.00 H new ATOM 1192 N VAL A 75 5.271 22.781 17.417 1.00 0.00 N ATOM 1193 CA VAL A 75 4.999 22.649 18.843 1.00 0.00 C ATOM 1194 C VAL A 75 3.820 21.715 19.092 1.00 0.00 C ATOM 1195 O VAL A 75 2.778 21.825 18.444 1.00 0.00 O ATOM 1196 CB VAL A 75 4.704 24.016 19.487 1.00 0.00 C ATOM 1197 CG1 VAL A 75 5.988 24.806 19.679 1.00 0.00 C ATOM 1198 CG2 VAL A 75 3.709 24.798 18.641 1.00 0.00 C ATOM 0 H VAL A 75 5.163 23.728 17.053 1.00 0.00 H new ATOM 0 HA VAL A 75 5.895 22.228 19.300 1.00 0.00 H new ATOM 0 HB VAL A 75 4.261 23.847 20.468 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.758 25.769 20.135 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.664 24.249 20.328 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.464 24.967 18.712 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.511 25.762 19.110 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.124 24.957 17.646 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.779 24.236 18.561 1.00 0.00 H new ATOM 1208 N LEU A 76 3.990 20.797 20.038 1.00 0.00 N ATOM 1209 CA LEU A 76 2.939 19.843 20.376 1.00 0.00 C ATOM 1210 C LEU A 76 2.912 19.571 21.876 1.00 0.00 C ATOM 1211 O LEU A 76 3.958 19.486 22.520 1.00 0.00 O ATOM 1212 CB LEU A 76 3.147 18.534 19.611 1.00 0.00 C ATOM 1213 CG LEU A 76 2.076 17.462 19.814 1.00 0.00 C ATOM 1214 CD1 LEU A 76 0.729 17.950 19.302 1.00 0.00 C ATOM 1215 CD2 LEU A 76 2.476 16.170 19.117 1.00 0.00 C ATOM 0 H LEU A 76 4.845 20.693 20.584 1.00 0.00 H new ATOM 0 HA LEU A 76 1.981 20.277 20.088 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.206 18.763 18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.111 18.116 19.901 1.00 0.00 H new ATOM 0 HG LEU A 76 1.986 17.263 20.882 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.021 17.174 19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.437 18.849 19.845 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.805 18.177 18.239 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.702 15.418 19.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.594 16.354 18.049 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.419 15.811 19.530 1.00 0.00 H new ATOM 1227 N ASP A 77 1.711 19.435 22.425 1.00 0.00 N ATOM 1228 CA ASP A 77 1.547 19.169 23.849 1.00 0.00 C ATOM 1229 C ASP A 77 0.851 17.830 24.077 1.00 0.00 C ATOM 1230 O ASP A 77 -0.172 17.538 23.457 1.00 0.00 O ATOM 1231 CB ASP A 77 0.748 20.292 24.512 1.00 0.00 C ATOM 1232 CG ASP A 77 0.945 20.334 26.015 1.00 0.00 C ATOM 1233 OD1 ASP A 77 1.963 19.796 26.494 1.00 0.00 O ATOM 1234 OD2 ASP A 77 0.079 20.905 26.711 1.00 0.00 O ATOM 0 H ASP A 77 0.836 19.505 21.906 1.00 0.00 H new ATOM 0 HA ASP A 77 2.538 19.124 24.300 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.046 21.248 24.083 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.311 20.160 24.291 1.00 0.00 H new ATOM 1239 N SER A 78 1.413 17.019 24.968 1.00 0.00 N ATOM 1240 CA SER A 78 0.849 15.710 25.273 1.00 0.00 C ATOM 1241 C SER A 78 0.164 15.717 26.636 1.00 0.00 C ATOM 1242 O SER A 78 0.637 16.355 27.576 1.00 0.00 O ATOM 1243 CB SER A 78 1.942 14.641 25.244 1.00 0.00 C ATOM 1244 OG SER A 78 1.383 13.340 25.201 1.00 0.00 O ATOM 0 H SER A 78 2.259 17.246 25.491 1.00 0.00 H new ATOM 0 HA SER A 78 0.103 15.477 24.513 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.582 14.794 24.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.574 14.739 26.126 1.00 0.00 H new ATOM 0 HG SER A 78 2.103 12.675 25.181 1.00 0.00 H new ATOM 1250 N MET A 79 -0.953 15.005 26.733 1.00 0.00 N ATOM 1251 CA MET A 79 -1.704 14.928 27.982 1.00 0.00 C ATOM 1252 C MET A 79 -1.254 13.732 28.813 1.00 0.00 C ATOM 1253 O MET A 79 -0.671 12.783 28.290 1.00 0.00 O ATOM 1254 CB MET A 79 -3.203 14.829 27.694 1.00 0.00 C ATOM 1255 CG MET A 79 -3.613 13.517 27.044 1.00 0.00 C ATOM 1256 SD MET A 79 -5.148 13.655 26.109 1.00 0.00 S ATOM 1257 CE MET A 79 -6.190 12.502 26.998 1.00 0.00 C ATOM 0 H MET A 79 -1.359 14.473 25.963 1.00 0.00 H new ATOM 0 HA MET A 79 -1.510 15.837 28.551 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.752 14.950 28.628 1.00 0.00 H new ATOM 0 HB3 MET A 79 -3.495 15.654 27.044 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.817 13.181 26.380 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.729 12.755 27.815 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.178 12.475 26.538 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.745 11.507 26.962 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.282 12.821 28.036 1.00 0.00 H new ATOM 1267 N GLY A 80 -1.528 13.783 30.114 1.00 0.00 N ATOM 1268 CA GLY A 80 -1.143 12.698 30.997 1.00 0.00 C ATOM 1269 C GLY A 80 -1.487 12.981 32.445 1.00 0.00 C ATOM 1270 O GLY A 80 -0.600 13.099 33.290 1.00 0.00 O ATOM 0 H GLY A 80 -2.010 14.557 30.571 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.641 11.782 30.681 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.071 12.525 30.909 1.00 0.00 H new ATOM 1274 N SER A 81 -2.780 13.090 32.735 1.00 0.00 N ATOM 1275 CA SER A 81 -3.240 13.365 34.091 1.00 0.00 C ATOM 1276 C SER A 81 -3.479 12.068 34.857 1.00 0.00 C ATOM 1277 O SER A 81 -4.245 11.209 34.421 1.00 0.00 O ATOM 1278 CB SER A 81 -4.524 14.196 34.058 1.00 0.00 C ATOM 1279 OG SER A 81 -4.744 14.844 35.299 1.00 0.00 O ATOM 0 H SER A 81 -3.528 12.992 32.048 1.00 0.00 H new ATOM 0 HA SER A 81 -2.463 13.931 34.604 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.460 14.939 33.263 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.372 13.552 33.825 1.00 0.00 H new ATOM 0 HG SER A 81 -5.570 15.370 35.252 1.00 0.00 H new ATOM 1285 N GLY A 82 -2.818 11.934 36.003 1.00 0.00 N ATOM 1286 CA GLY A 82 -2.972 10.740 36.814 1.00 0.00 C ATOM 1287 C GLY A 82 -4.336 10.655 37.468 1.00 0.00 C ATOM 1288 O GLY A 82 -5.293 11.277 37.010 1.00 0.00 O ATOM 0 H GLY A 82 -2.178 12.631 36.384 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.816 9.859 36.191 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.201 10.726 37.585 1.00 0.00 H new ATOM 1292 N LYS A 83 -4.426 9.882 38.546 1.00 0.00 N ATOM 1293 CA LYS A 83 -5.683 9.717 39.267 1.00 0.00 C ATOM 1294 C LYS A 83 -5.446 9.088 40.637 1.00 0.00 C ATOM 1295 O LYS A 83 -4.377 8.537 40.901 1.00 0.00 O ATOM 1296 CB LYS A 83 -6.649 8.849 38.456 1.00 0.00 C ATOM 1297 CG LYS A 83 -6.281 7.375 38.447 1.00 0.00 C ATOM 1298 CD LYS A 83 -6.938 6.645 37.286 1.00 0.00 C ATOM 1299 CE LYS A 83 -6.235 6.944 35.972 1.00 0.00 C ATOM 1300 NZ LYS A 83 -6.490 5.888 34.953 1.00 0.00 N ATOM 0 H LYS A 83 -3.643 9.360 38.939 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.123 10.704 39.411 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.654 8.961 38.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.678 9.214 37.429 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.198 7.269 38.379 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.588 6.916 39.387 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.921 5.571 37.473 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.985 6.939 37.215 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.574 7.907 35.590 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.162 7.030 36.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.993 6.129 34.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.144 4.973 35.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.511 5.823 34.768 1.00 0.00 H new ATOM 1314 N SER A 84 -6.449 9.175 41.504 1.00 0.00 N ATOM 1315 CA SER A 84 -6.348 8.617 42.847 1.00 0.00 C ATOM 1316 C SER A 84 -7.275 7.414 43.008 1.00 0.00 C ATOM 1317 O SER A 84 -8.074 7.110 42.123 1.00 0.00 O ATOM 1318 CB SER A 84 -6.690 9.681 43.892 1.00 0.00 C ATOM 1319 OG SER A 84 -5.911 10.849 43.703 1.00 0.00 O ATOM 0 H SER A 84 -7.341 9.626 41.301 1.00 0.00 H new ATOM 0 HA SER A 84 -5.321 8.285 42.999 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.749 9.932 43.827 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.517 9.282 44.892 1.00 0.00 H new ATOM 0 HG SER A 84 -6.149 11.514 44.382 1.00 0.00 H new ATOM 1325 N GLY A 85 -7.161 6.735 44.144 1.00 0.00 N ATOM 1326 CA GLY A 85 -7.993 5.574 44.401 1.00 0.00 C ATOM 1327 C GLY A 85 -8.133 5.276 45.880 1.00 0.00 C ATOM 1328 O GLY A 85 -7.449 4.412 46.429 1.00 0.00 O ATOM 0 H GLY A 85 -6.507 6.968 44.892 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.981 5.737 43.971 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.566 4.707 43.898 1.00 0.00 H new ATOM 1332 N PRO A 86 -9.036 6.005 46.551 1.00 0.00 N ATOM 1333 CA PRO A 86 -9.283 5.834 47.986 1.00 0.00 C ATOM 1334 C PRO A 86 -9.972 4.511 48.301 1.00 0.00 C ATOM 1335 O PRO A 86 -11.053 4.224 47.786 1.00 0.00 O ATOM 1336 CB PRO A 86 -10.202 7.009 48.331 1.00 0.00 C ATOM 1337 CG PRO A 86 -10.881 7.347 47.049 1.00 0.00 C ATOM 1338 CD PRO A 86 -9.887 7.053 45.961 1.00 0.00 C ATOM 0 HA PRO A 86 -8.356 5.817 48.559 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.923 6.735 49.101 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.634 7.857 48.714 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.787 6.755 46.920 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.180 8.395 47.031 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.378 6.707 45.051 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.309 7.938 45.695 1.00 0.00 H new ATOM 1346 N SER A 87 -9.341 3.707 49.151 1.00 0.00 N ATOM 1347 CA SER A 87 -9.891 2.413 49.533 1.00 0.00 C ATOM 1348 C SER A 87 -11.230 2.579 50.244 1.00 0.00 C ATOM 1349 O SER A 87 -12.239 2.002 49.838 1.00 0.00 O ATOM 1350 CB SER A 87 -8.909 1.663 50.436 1.00 0.00 C ATOM 1351 OG SER A 87 -7.827 1.138 49.688 1.00 0.00 O ATOM 0 H SER A 87 -8.447 3.930 49.588 1.00 0.00 H new ATOM 0 HA SER A 87 -10.053 1.833 48.624 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.531 2.336 51.205 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.428 0.853 50.949 1.00 0.00 H new ATOM 0 HG SER A 87 -7.213 0.665 50.288 1.00 0.00 H new ATOM 1357 N SER A 88 -11.230 3.373 51.311 1.00 0.00 N ATOM 1358 CA SER A 88 -12.443 3.614 52.084 1.00 0.00 C ATOM 1359 C SER A 88 -13.390 4.546 51.333 1.00 0.00 C ATOM 1360 O SER A 88 -14.590 4.290 51.245 1.00 0.00 O ATOM 1361 CB SER A 88 -12.095 4.215 53.447 1.00 0.00 C ATOM 1362 OG SER A 88 -13.265 4.564 54.165 1.00 0.00 O ATOM 0 H SER A 88 -10.404 3.860 51.659 1.00 0.00 H new ATOM 0 HA SER A 88 -12.944 2.657 52.234 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.510 3.499 54.025 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.472 5.099 53.310 1.00 0.00 H new ATOM 0 HG SER A 88 -13.015 4.944 55.033 1.00 0.00 H new ATOM 1368 N GLY A 89 -12.839 5.627 50.791 1.00 0.00 N ATOM 1369 CA GLY A 89 -13.647 6.582 50.054 1.00 0.00 C ATOM 1370 C GLY A 89 -14.099 7.746 50.914 1.00 0.00 C ATOM 1371 O GLY A 89 -14.652 8.722 50.407 1.00 0.00 O ATOM 0 H GLY A 89 -11.847 5.859 50.849 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.074 6.961 49.207 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.521 6.075 49.646 1.00 0.00 H new TER 1375 GLY A 89