USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-8.4!) USER MOD Set 2.1: A 52 SER OG : rot -158:sc= 0.162 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0988 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= -0.0971 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 29 MET CE :methyl 140:sc= -1.92 (180deg=-4.09!) USER MOD Single : A 30 SER OG : rot 63:sc= 0.194 USER MOD Single : A 36 THR OG1 : rot 51:sc= 0.0031 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 66 CYS SG : rot -170:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 14:sc= 1.21 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 17:sc= -0.296 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -123:sc= -0.0126 (180deg=-0.576) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 69:sc= 0.749 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.512 18.567 9.818 1.00 0.00 N ATOM 2 CA GLY A 1 26.335 17.374 9.882 1.00 0.00 C ATOM 3 C GLY A 1 25.605 16.139 9.393 1.00 0.00 C ATOM 4 O GLY A 1 25.331 15.223 10.169 1.00 0.00 O ATOM 0 H1 GLY A 1 26.056 19.383 10.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.221 18.736 8.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.668 18.438 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.233 17.523 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.661 17.216 10.910 1.00 0.00 H new ATOM 8 N SER A 2 25.288 16.113 8.103 1.00 0.00 N ATOM 9 CA SER A 2 24.580 14.983 7.512 1.00 0.00 C ATOM 10 C SER A 2 25.329 14.448 6.295 1.00 0.00 C ATOM 11 O SER A 2 26.166 15.140 5.715 1.00 0.00 O ATOM 12 CB SER A 2 23.162 15.395 7.111 1.00 0.00 C ATOM 13 OG SER A 2 22.418 15.824 8.239 1.00 0.00 O ATOM 0 H SER A 2 25.510 16.861 7.447 1.00 0.00 H new ATOM 0 HA SER A 2 24.523 14.191 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.207 16.197 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.656 14.554 6.636 1.00 0.00 H new ATOM 0 HG SER A 2 21.516 16.084 7.957 1.00 0.00 H new ATOM 19 N SER A 3 25.023 13.212 5.916 1.00 0.00 N ATOM 20 CA SER A 3 25.669 12.582 4.771 1.00 0.00 C ATOM 21 C SER A 3 24.662 12.320 3.655 1.00 0.00 C ATOM 22 O SER A 3 23.594 11.756 3.887 1.00 0.00 O ATOM 23 CB SER A 3 26.333 11.269 5.192 1.00 0.00 C ATOM 24 OG SER A 3 27.038 10.685 4.111 1.00 0.00 O ATOM 0 H SER A 3 24.332 12.627 6.385 1.00 0.00 H new ATOM 0 HA SER A 3 26.432 13.264 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.018 11.453 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.575 10.574 5.554 1.00 0.00 H new ATOM 0 HG SER A 3 27.455 9.848 4.406 1.00 0.00 H new ATOM 30 N GLY A 4 25.012 12.734 2.441 1.00 0.00 N ATOM 31 CA GLY A 4 24.129 12.536 1.306 1.00 0.00 C ATOM 32 C GLY A 4 24.633 13.225 0.053 1.00 0.00 C ATOM 33 O GLY A 4 25.587 14.000 0.103 1.00 0.00 O ATOM 0 H GLY A 4 25.891 13.203 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.024 11.468 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.137 12.915 1.551 1.00 0.00 H new ATOM 37 N SER A 5 23.990 12.940 -1.075 1.00 0.00 N ATOM 38 CA SER A 5 24.382 13.533 -2.349 1.00 0.00 C ATOM 39 C SER A 5 23.653 14.853 -2.580 1.00 0.00 C ATOM 40 O SER A 5 22.685 15.170 -1.888 1.00 0.00 O ATOM 41 CB SER A 5 24.088 12.567 -3.498 1.00 0.00 C ATOM 42 OG SER A 5 24.604 13.059 -4.722 1.00 0.00 O ATOM 0 H SER A 5 23.196 12.303 -1.133 1.00 0.00 H new ATOM 0 HA SER A 5 25.454 13.730 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.527 11.593 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.012 12.419 -3.587 1.00 0.00 H new ATOM 0 HG SER A 5 24.405 12.423 -5.440 1.00 0.00 H new ATOM 48 N SER A 6 24.124 15.619 -3.559 1.00 0.00 N ATOM 49 CA SER A 6 23.520 16.907 -3.880 1.00 0.00 C ATOM 50 C SER A 6 22.284 16.723 -4.755 1.00 0.00 C ATOM 51 O SER A 6 22.366 16.196 -5.863 1.00 0.00 O ATOM 52 CB SER A 6 24.534 17.806 -4.592 1.00 0.00 C ATOM 53 OG SER A 6 23.904 18.953 -5.136 1.00 0.00 O ATOM 0 H SER A 6 24.922 15.370 -4.144 1.00 0.00 H new ATOM 0 HA SER A 6 23.216 17.382 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.310 18.112 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.026 17.246 -5.387 1.00 0.00 H new ATOM 0 HG SER A 6 24.573 19.512 -5.584 1.00 0.00 H new ATOM 59 N GLY A 7 21.137 17.164 -4.247 1.00 0.00 N ATOM 60 CA GLY A 7 19.898 17.040 -4.994 1.00 0.00 C ATOM 61 C GLY A 7 18.675 17.281 -4.132 1.00 0.00 C ATOM 62 O GLY A 7 18.610 16.821 -2.992 1.00 0.00 O ATOM 0 H GLY A 7 21.043 17.605 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.903 17.751 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.839 16.044 -5.432 1.00 0.00 H new ATOM 66 N ILE A 8 17.703 18.005 -4.676 1.00 0.00 N ATOM 67 CA ILE A 8 16.477 18.307 -3.949 1.00 0.00 C ATOM 68 C ILE A 8 15.250 17.825 -4.716 1.00 0.00 C ATOM 69 O ILE A 8 15.275 17.713 -5.941 1.00 0.00 O ATOM 70 CB ILE A 8 16.339 19.817 -3.679 1.00 0.00 C ATOM 71 CG1 ILE A 8 16.341 20.594 -4.997 1.00 0.00 C ATOM 72 CG2 ILE A 8 17.461 20.298 -2.772 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.528 21.869 -4.948 1.00 0.00 C ATOM 0 H ILE A 8 17.741 18.393 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 8 16.538 17.780 -2.997 1.00 0.00 H new ATOM 0 HB ILE A 8 15.390 19.996 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 8 17.369 20.838 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 8 15.950 19.954 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 8 17.349 21.367 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.417 19.763 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 8 18.422 20.110 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.574 22.368 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 8 14.491 21.630 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.932 22.529 -4.180 1.00 0.00 H new ATOM 85 N GLY A 9 14.176 17.541 -3.985 1.00 0.00 N ATOM 86 CA GLY A 9 12.953 17.076 -4.614 1.00 0.00 C ATOM 87 C GLY A 9 11.745 17.221 -3.710 1.00 0.00 C ATOM 88 O GLY A 9 11.884 17.477 -2.513 1.00 0.00 O ATOM 0 H GLY A 9 14.131 17.625 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.785 17.637 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.068 16.029 -4.896 1.00 0.00 H new ATOM 92 N ASP A 10 10.557 17.058 -4.281 1.00 0.00 N ATOM 93 CA ASP A 10 9.319 17.173 -3.519 1.00 0.00 C ATOM 94 C ASP A 10 8.427 15.957 -3.746 1.00 0.00 C ATOM 95 O ASP A 10 7.958 15.717 -4.859 1.00 0.00 O ATOM 96 CB ASP A 10 8.572 18.449 -3.908 1.00 0.00 C ATOM 97 CG ASP A 10 9.316 19.704 -3.495 1.00 0.00 C ATOM 98 OD1 ASP A 10 9.449 19.940 -2.277 1.00 0.00 O ATOM 99 OD2 ASP A 10 9.763 20.451 -4.391 1.00 0.00 O ATOM 0 H ASP A 10 10.425 16.846 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 10 9.576 17.221 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.416 18.461 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.586 18.445 -3.444 1.00 0.00 H new ATOM 104 N ALA A 11 8.197 15.191 -2.684 1.00 0.00 N ATOM 105 CA ALA A 11 7.360 14.000 -2.768 1.00 0.00 C ATOM 106 C ALA A 11 5.953 14.350 -3.238 1.00 0.00 C ATOM 107 O ALA A 11 5.398 13.687 -4.114 1.00 0.00 O ATOM 108 CB ALA A 11 7.308 13.296 -1.420 1.00 0.00 C ATOM 0 H ALA A 11 8.578 15.374 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 11 7.803 13.326 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.680 12.409 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.315 13.003 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.892 13.971 -0.673 1.00 0.00 H new ATOM 114 N ARG A 12 5.380 15.396 -2.651 1.00 0.00 N ATOM 115 CA ARG A 12 4.036 15.833 -3.009 1.00 0.00 C ATOM 116 C ARG A 12 3.940 16.124 -4.504 1.00 0.00 C ATOM 117 O ARG A 12 2.845 16.205 -5.061 1.00 0.00 O ATOM 118 CB ARG A 12 3.652 17.079 -2.211 1.00 0.00 C ATOM 119 CG ARG A 12 3.237 16.782 -0.779 1.00 0.00 C ATOM 120 CD ARG A 12 4.393 16.215 0.030 1.00 0.00 C ATOM 121 NE ARG A 12 4.237 16.470 1.460 1.00 0.00 N ATOM 122 CZ ARG A 12 4.359 17.673 2.009 1.00 0.00 C ATOM 123 NH1 ARG A 12 4.636 18.726 1.253 1.00 0.00 N ATOM 124 NH2 ARG A 12 4.203 17.824 3.318 1.00 0.00 N ATOM 0 H ARG A 12 5.826 15.957 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 12 3.343 15.028 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.497 17.768 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.833 17.588 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.875 17.695 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.409 16.073 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.463 15.141 -0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.328 16.655 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 12 4.023 15.681 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.756 18.614 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.729 19.649 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.989 17.016 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.297 18.748 3.740 1.00 0.00 H new ATOM 138 N ARG A 13 5.092 16.280 -5.147 1.00 0.00 N ATOM 139 CA ARG A 13 5.137 16.563 -6.576 1.00 0.00 C ATOM 140 C ARG A 13 5.244 15.273 -7.384 1.00 0.00 C ATOM 141 O ARG A 13 4.912 15.241 -8.568 1.00 0.00 O ATOM 142 CB ARG A 13 6.320 17.478 -6.899 1.00 0.00 C ATOM 143 CG ARG A 13 6.099 18.926 -6.493 1.00 0.00 C ATOM 144 CD ARG A 13 4.947 19.551 -7.264 1.00 0.00 C ATOM 145 NE ARG A 13 5.028 21.009 -7.283 1.00 0.00 N ATOM 146 CZ ARG A 13 4.197 21.783 -7.972 1.00 0.00 C ATOM 147 NH1 ARG A 13 3.227 21.241 -8.695 1.00 0.00 N ATOM 148 NH2 ARG A 13 4.335 23.102 -7.938 1.00 0.00 N ATOM 0 H ARG A 13 6.007 16.215 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 13 4.210 17.067 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.209 17.100 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.519 17.436 -7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.893 18.978 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.010 19.498 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.949 19.175 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.002 19.246 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 13 5.763 21.458 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.117 20.227 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.590 21.838 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.080 23.523 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.696 23.695 -8.467 1.00 0.00 H new ATOM 162 N ALA A 14 5.709 14.211 -6.734 1.00 0.00 N ATOM 163 CA ALA A 14 5.858 12.918 -7.390 1.00 0.00 C ATOM 164 C ALA A 14 4.504 12.246 -7.592 1.00 0.00 C ATOM 165 O ALA A 14 3.574 12.453 -6.812 1.00 0.00 O ATOM 166 CB ALA A 14 6.780 12.019 -6.582 1.00 0.00 C ATOM 0 H ALA A 14 5.989 14.221 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 14 6.301 13.085 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.882 11.057 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.760 12.488 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.360 11.867 -5.588 1.00 0.00 H new ATOM 172 N LYS A 15 4.399 11.441 -8.644 1.00 0.00 N ATOM 173 CA LYS A 15 3.159 10.738 -8.949 1.00 0.00 C ATOM 174 C LYS A 15 3.415 9.248 -9.153 1.00 0.00 C ATOM 175 O LYS A 15 4.541 8.833 -9.429 1.00 0.00 O ATOM 176 CB LYS A 15 2.506 11.330 -10.200 1.00 0.00 C ATOM 177 CG LYS A 15 1.544 12.467 -9.903 1.00 0.00 C ATOM 178 CD LYS A 15 1.272 13.305 -11.141 1.00 0.00 C ATOM 179 CE LYS A 15 0.150 12.712 -11.980 1.00 0.00 C ATOM 180 NZ LYS A 15 -1.190 13.160 -11.510 1.00 0.00 N ATOM 0 H LYS A 15 5.159 11.259 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 15 2.484 10.861 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.286 11.691 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.971 10.541 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.606 12.061 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.958 13.100 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.008 14.320 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.179 13.374 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.284 13.001 -13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.203 11.624 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.927 12.734 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.329 12.863 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.251 14.196 -11.571 1.00 0.00 H new ATOM 194 N VAL A 16 2.362 8.447 -9.018 1.00 0.00 N ATOM 195 CA VAL A 16 2.473 7.004 -9.191 1.00 0.00 C ATOM 196 C VAL A 16 1.200 6.423 -9.797 1.00 0.00 C ATOM 197 O VAL A 16 0.124 6.509 -9.206 1.00 0.00 O ATOM 198 CB VAL A 16 2.758 6.298 -7.851 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.256 6.208 -7.603 1.00 0.00 C ATOM 200 CG2 VAL A 16 2.063 7.024 -6.709 1.00 0.00 C ATOM 0 H VAL A 16 1.423 8.774 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 16 3.308 6.831 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 16 2.361 5.284 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.438 5.707 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.725 5.641 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.680 7.211 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.275 6.512 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.428 8.049 -6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.987 7.031 -6.884 1.00 0.00 H new ATOM 210 N TYR A 17 1.331 5.833 -10.980 1.00 0.00 N ATOM 211 CA TYR A 17 0.191 5.240 -11.668 1.00 0.00 C ATOM 212 C TYR A 17 0.556 3.879 -12.254 1.00 0.00 C ATOM 213 O TYR A 17 1.670 3.676 -12.734 1.00 0.00 O ATOM 214 CB TYR A 17 -0.302 6.170 -12.778 1.00 0.00 C ATOM 215 CG TYR A 17 0.812 6.893 -13.501 1.00 0.00 C ATOM 216 CD1 TYR A 17 1.635 6.223 -14.397 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.040 8.247 -13.289 1.00 0.00 C ATOM 218 CE1 TYR A 17 2.654 6.880 -15.059 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.056 8.913 -13.948 1.00 0.00 C ATOM 220 CZ TYR A 17 2.860 8.224 -14.831 1.00 0.00 C ATOM 221 OH TYR A 17 3.874 8.882 -15.490 1.00 0.00 O ATOM 0 H TYR A 17 2.215 5.753 -11.482 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.608 5.100 -10.940 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.875 5.588 -13.500 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.983 6.905 -12.349 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.476 5.170 -14.579 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.412 8.789 -12.597 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.286 6.344 -15.751 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.219 9.966 -13.772 1.00 0.00 H new ATOM 0 HH TYR A 17 3.884 9.824 -15.218 1.00 0.00 H new ATOM 231 N GLY A 18 -0.394 2.950 -12.212 1.00 0.00 N ATOM 232 CA GLY A 18 -0.155 1.620 -12.742 1.00 0.00 C ATOM 233 C GLY A 18 -1.160 0.605 -12.236 1.00 0.00 C ATOM 234 O GLY A 18 -2.074 0.947 -11.485 1.00 0.00 O ATOM 0 H GLY A 18 -1.325 3.094 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.194 1.654 -13.831 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.850 1.299 -12.469 1.00 0.00 H new ATOM 238 N ARG A 19 -0.993 -0.647 -12.649 1.00 0.00 N ATOM 239 CA ARG A 19 -1.895 -1.715 -12.234 1.00 0.00 C ATOM 240 C ARG A 19 -1.477 -2.286 -10.882 1.00 0.00 C ATOM 241 O ARG A 19 -2.311 -2.764 -10.114 1.00 0.00 O ATOM 242 CB ARG A 19 -1.919 -2.828 -13.284 1.00 0.00 C ATOM 243 CG ARG A 19 -3.151 -3.714 -13.204 1.00 0.00 C ATOM 244 CD ARG A 19 -3.039 -4.908 -14.139 1.00 0.00 C ATOM 245 NE ARG A 19 -3.572 -4.615 -15.467 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.874 -4.012 -16.423 1.00 0.00 C ATOM 247 NH1 ARG A 19 -1.621 -3.641 -16.199 1.00 0.00 N ATOM 248 NH2 ARG A 19 -3.429 -3.779 -17.606 1.00 0.00 N ATOM 0 H ARG A 19 -0.242 -0.947 -13.270 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.896 -1.294 -12.137 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.867 -2.381 -14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.029 -3.446 -13.166 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.284 -4.063 -12.180 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.036 -3.132 -13.459 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.994 -5.204 -14.225 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.576 -5.755 -13.712 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.533 -4.888 -15.672 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.191 -3.818 -15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.087 -3.178 -16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.393 -4.063 -17.782 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.892 -3.316 -18.339 1.00 0.00 H new ATOM 262 N GLY A 20 -0.179 -2.232 -10.598 1.00 0.00 N ATOM 263 CA GLY A 20 0.327 -2.748 -9.340 1.00 0.00 C ATOM 264 C GLY A 20 0.074 -1.802 -8.182 1.00 0.00 C ATOM 265 O GLY A 20 0.612 -1.988 -7.090 1.00 0.00 O ATOM 0 H GLY A 20 0.531 -1.840 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.143 -3.709 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.398 -2.930 -9.430 1.00 0.00 H new ATOM 269 N LEU A 21 -0.746 -0.785 -8.421 1.00 0.00 N ATOM 270 CA LEU A 21 -1.069 0.195 -7.389 1.00 0.00 C ATOM 271 C LEU A 21 -2.562 0.183 -7.075 1.00 0.00 C ATOM 272 O LEU A 21 -2.979 0.567 -5.982 1.00 0.00 O ATOM 273 CB LEU A 21 -0.642 1.595 -7.836 1.00 0.00 C ATOM 274 CG LEU A 21 0.789 1.724 -8.358 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.016 3.104 -8.957 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.790 1.454 -7.245 1.00 0.00 C ATOM 0 H LEU A 21 -1.199 -0.617 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.524 -0.073 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.324 1.929 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.763 2.277 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 21 0.937 0.980 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.040 3.178 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.323 3.260 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.848 3.864 -8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.803 1.550 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.642 2.173 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.644 0.444 -6.861 1.00 0.00 H new ATOM 288 N SER A 22 -3.361 -0.262 -8.039 1.00 0.00 N ATOM 289 CA SER A 22 -4.808 -0.323 -7.866 1.00 0.00 C ATOM 290 C SER A 22 -5.247 -1.724 -7.452 1.00 0.00 C ATOM 291 O SER A 22 -5.761 -1.925 -6.353 1.00 0.00 O ATOM 292 CB SER A 22 -5.515 0.085 -9.160 1.00 0.00 C ATOM 293 OG SER A 22 -5.697 1.489 -9.221 1.00 0.00 O ATOM 0 H SER A 22 -3.031 -0.586 -8.948 1.00 0.00 H new ATOM 0 HA SER A 22 -5.085 0.374 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.930 -0.247 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.482 -0.413 -9.222 1.00 0.00 H new ATOM 0 HG SER A 22 -6.149 1.724 -10.058 1.00 0.00 H new ATOM 299 N GLU A 23 -5.039 -2.689 -8.343 1.00 0.00 N ATOM 300 CA GLU A 23 -5.415 -4.072 -8.071 1.00 0.00 C ATOM 301 C GLU A 23 -4.251 -5.018 -8.355 1.00 0.00 C ATOM 302 O GLU A 23 -3.176 -4.589 -8.772 1.00 0.00 O ATOM 303 CB GLU A 23 -6.628 -4.470 -8.914 1.00 0.00 C ATOM 304 CG GLU A 23 -6.404 -4.322 -10.410 1.00 0.00 C ATOM 305 CD GLU A 23 -7.495 -4.981 -11.231 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.667 -6.212 -11.110 1.00 0.00 O ATOM 307 OE2 GLU A 23 -8.178 -4.266 -11.994 1.00 0.00 O ATOM 0 H GLU A 23 -4.613 -2.539 -9.258 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.675 -4.150 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.888 -5.505 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.481 -3.858 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.354 -3.263 -10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.441 -4.759 -10.674 1.00 0.00 H new ATOM 314 N GLY A 24 -4.475 -6.308 -8.127 1.00 0.00 N ATOM 315 CA GLY A 24 -3.437 -7.294 -8.363 1.00 0.00 C ATOM 316 C GLY A 24 -3.931 -8.714 -8.164 1.00 0.00 C ATOM 317 O GLY A 24 -5.067 -8.930 -7.742 1.00 0.00 O ATOM 0 H GLY A 24 -5.357 -6.688 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.059 -7.183 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.601 -7.106 -7.689 1.00 0.00 H new ATOM 321 N ARG A 25 -3.075 -9.684 -8.469 1.00 0.00 N ATOM 322 CA ARG A 25 -3.431 -11.090 -8.324 1.00 0.00 C ATOM 323 C ARG A 25 -2.209 -11.926 -7.954 1.00 0.00 C ATOM 324 O ARG A 25 -1.070 -11.498 -8.145 1.00 0.00 O ATOM 325 CB ARG A 25 -4.050 -11.618 -9.620 1.00 0.00 C ATOM 326 CG ARG A 25 -5.560 -11.461 -9.682 1.00 0.00 C ATOM 327 CD ARG A 25 -6.175 -12.387 -10.720 1.00 0.00 C ATOM 328 NE ARG A 25 -5.762 -12.039 -12.076 1.00 0.00 N ATOM 329 CZ ARG A 25 -6.278 -11.027 -12.765 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.223 -10.268 -12.227 1.00 0.00 N ATOM 331 NH2 ARG A 25 -5.850 -10.774 -13.995 1.00 0.00 N ATOM 0 H ARG A 25 -2.130 -9.522 -8.818 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.162 -11.172 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.604 -11.094 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.798 -12.673 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.989 -11.674 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.810 -10.427 -9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.885 -13.416 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.262 -12.341 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.037 -12.604 -12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.555 -10.461 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.617 -9.492 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.124 -11.357 -14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.247 -9.997 -14.523 1.00 0.00 H new ATOM 345 N THR A 26 -2.453 -13.120 -7.423 1.00 0.00 N ATOM 346 CA THR A 26 -1.373 -14.014 -7.025 1.00 0.00 C ATOM 347 C THR A 26 -0.641 -14.567 -8.241 1.00 0.00 C ATOM 348 O THR A 26 -1.232 -14.746 -9.307 1.00 0.00 O ATOM 349 CB THR A 26 -1.900 -15.189 -6.179 1.00 0.00 C ATOM 350 OG1 THR A 26 -3.043 -15.775 -6.812 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.272 -14.723 -4.779 1.00 0.00 C ATOM 0 H THR A 26 -3.389 -13.490 -7.259 1.00 0.00 H new ATOM 0 HA THR A 26 -0.680 -13.425 -6.424 1.00 0.00 H new ATOM 0 HB THR A 26 -1.109 -15.934 -6.099 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.371 -16.522 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.641 -15.569 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.393 -14.304 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.049 -13.961 -4.844 1.00 0.00 H new ATOM 359 N PHE A 27 0.650 -14.838 -8.077 1.00 0.00 N ATOM 360 CA PHE A 27 1.464 -15.372 -9.163 1.00 0.00 C ATOM 361 C PHE A 27 1.338 -14.505 -10.413 1.00 0.00 C ATOM 362 O PHE A 27 1.284 -15.016 -11.531 1.00 0.00 O ATOM 363 CB PHE A 27 1.048 -16.809 -9.481 1.00 0.00 C ATOM 364 CG PHE A 27 1.565 -17.816 -8.494 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.275 -17.694 -7.144 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.341 -18.883 -8.915 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.749 -18.619 -6.233 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.818 -19.811 -8.008 1.00 0.00 C ATOM 369 CZ PHE A 27 2.522 -19.678 -6.665 1.00 0.00 C ATOM 0 H PHE A 27 1.155 -14.696 -7.202 1.00 0.00 H new ATOM 0 HA PHE A 27 2.505 -15.366 -8.841 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.040 -16.866 -9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.407 -17.071 -10.476 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.672 -16.867 -6.800 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.576 -18.991 -9.964 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.515 -18.513 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.421 -20.639 -8.349 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.895 -20.401 -5.955 1.00 0.00 H new ATOM 379 N GLU A 28 1.292 -13.192 -10.213 1.00 0.00 N ATOM 380 CA GLU A 28 1.172 -12.254 -11.323 1.00 0.00 C ATOM 381 C GLU A 28 2.073 -11.041 -11.111 1.00 0.00 C ATOM 382 O GLU A 28 1.881 -10.269 -10.172 1.00 0.00 O ATOM 383 CB GLU A 28 -0.281 -11.803 -11.483 1.00 0.00 C ATOM 384 CG GLU A 28 -0.444 -10.575 -12.364 1.00 0.00 C ATOM 385 CD GLU A 28 -1.802 -10.515 -13.035 1.00 0.00 C ATOM 386 OE1 GLU A 28 -2.419 -11.584 -13.222 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.248 -9.399 -13.373 1.00 0.00 O ATOM 0 H GLU A 28 1.336 -12.754 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 28 1.489 -12.764 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.863 -12.622 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.697 -11.591 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.301 -9.678 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.334 -10.574 -13.127 1.00 0.00 H new ATOM 394 N MET A 29 3.056 -10.881 -11.990 1.00 0.00 N ATOM 395 CA MET A 29 3.987 -9.762 -11.900 1.00 0.00 C ATOM 396 C MET A 29 3.249 -8.431 -12.007 1.00 0.00 C ATOM 397 O MET A 29 2.787 -8.052 -13.082 1.00 0.00 O ATOM 398 CB MET A 29 5.045 -9.861 -13.001 1.00 0.00 C ATOM 399 CG MET A 29 6.378 -9.238 -12.620 1.00 0.00 C ATOM 400 SD MET A 29 7.472 -10.398 -11.778 1.00 0.00 S ATOM 401 CE MET A 29 8.091 -9.373 -10.446 1.00 0.00 C ATOM 0 H MET A 29 3.229 -11.512 -12.773 1.00 0.00 H new ATOM 0 HA MET A 29 4.479 -9.808 -10.928 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.202 -10.911 -13.250 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.669 -9.373 -13.900 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.871 -8.867 -13.518 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.201 -8.378 -11.975 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.149 -9.962 -9.531 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.083 -9.003 -10.703 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.418 -8.530 -10.293 1.00 0.00 H new ATOM 411 N SER A 30 3.142 -7.728 -10.884 1.00 0.00 N ATOM 412 CA SER A 30 2.456 -6.442 -10.850 1.00 0.00 C ATOM 413 C SER A 30 3.447 -5.304 -10.623 1.00 0.00 C ATOM 414 O SER A 30 4.034 -5.183 -9.547 1.00 0.00 O ATOM 415 CB SER A 30 1.393 -6.435 -9.751 1.00 0.00 C ATOM 416 OG SER A 30 0.474 -7.500 -9.923 1.00 0.00 O ATOM 0 H SER A 30 3.522 -8.027 -9.986 1.00 0.00 H new ATOM 0 HA SER A 30 1.971 -6.291 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.873 -6.519 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.859 -5.485 -9.763 1.00 0.00 H new ATOM 0 HG SER A 30 0.945 -8.355 -9.838 1.00 0.00 H new ATOM 422 N ASP A 31 3.627 -4.472 -11.642 1.00 0.00 N ATOM 423 CA ASP A 31 4.545 -3.342 -11.555 1.00 0.00 C ATOM 424 C ASP A 31 3.800 -2.022 -11.728 1.00 0.00 C ATOM 425 O ASP A 31 2.590 -2.004 -11.953 1.00 0.00 O ATOM 426 CB ASP A 31 5.642 -3.466 -12.614 1.00 0.00 C ATOM 427 CG ASP A 31 5.138 -4.091 -13.899 1.00 0.00 C ATOM 428 OD1 ASP A 31 5.103 -5.337 -13.979 1.00 0.00 O ATOM 429 OD2 ASP A 31 4.778 -3.335 -14.826 1.00 0.00 O ATOM 0 H ASP A 31 3.149 -4.558 -12.539 1.00 0.00 H new ATOM 0 HA ASP A 31 5.003 -3.353 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.049 -2.478 -12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.460 -4.068 -12.217 1.00 0.00 H new ATOM 434 N PHE A 32 4.532 -0.918 -11.619 1.00 0.00 N ATOM 435 CA PHE A 32 3.941 0.408 -11.761 1.00 0.00 C ATOM 436 C PHE A 32 5.015 1.456 -12.038 1.00 0.00 C ATOM 437 O PHE A 32 6.206 1.201 -11.857 1.00 0.00 O ATOM 438 CB PHE A 32 3.161 0.780 -10.498 1.00 0.00 C ATOM 439 CG PHE A 32 3.995 0.752 -9.249 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.725 1.864 -8.863 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.049 -0.387 -8.462 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.494 1.840 -7.714 1.00 0.00 C ATOM 443 CE2 PHE A 32 4.816 -0.417 -7.313 1.00 0.00 C ATOM 444 CZ PHE A 32 5.539 0.699 -6.938 1.00 0.00 C ATOM 0 H PHE A 32 5.535 -0.915 -11.433 1.00 0.00 H new ATOM 0 HA PHE A 32 3.256 0.384 -12.608 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.739 1.777 -10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.324 0.092 -10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.693 2.759 -9.466 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.485 -1.262 -8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.059 2.713 -7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.850 -1.312 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.138 0.679 -6.040 1.00 0.00 H new ATOM 454 N ILE A 33 4.585 2.634 -12.476 1.00 0.00 N ATOM 455 CA ILE A 33 5.509 3.720 -12.777 1.00 0.00 C ATOM 456 C ILE A 33 5.592 4.708 -11.617 1.00 0.00 C ATOM 457 O ILE A 33 4.675 4.804 -10.802 1.00 0.00 O ATOM 458 CB ILE A 33 5.092 4.477 -14.052 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.518 3.697 -15.297 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.698 5.873 -14.061 1.00 0.00 C ATOM 461 CD1 ILE A 33 6.995 3.371 -15.329 1.00 0.00 C ATOM 0 H ILE A 33 3.603 2.861 -12.630 1.00 0.00 H new ATOM 0 HA ILE A 33 6.487 3.267 -12.937 1.00 0.00 H new ATOM 0 HB ILE A 33 4.006 4.573 -14.061 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.948 2.769 -15.347 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.263 4.277 -16.184 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.394 6.396 -14.968 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.349 6.427 -13.189 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.785 5.798 -14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.226 2.818 -16.239 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.572 4.295 -15.310 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.253 2.765 -14.461 1.00 0.00 H new ATOM 473 N VAL A 34 6.698 5.442 -11.551 1.00 0.00 N ATOM 474 CA VAL A 34 6.901 6.424 -10.493 1.00 0.00 C ATOM 475 C VAL A 34 7.433 7.737 -11.057 1.00 0.00 C ATOM 476 O VAL A 34 8.627 7.871 -11.326 1.00 0.00 O ATOM 477 CB VAL A 34 7.880 5.904 -9.424 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.272 7.022 -8.470 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.269 4.735 -8.666 1.00 0.00 C ATOM 0 H VAL A 34 7.467 5.375 -12.218 1.00 0.00 H new ATOM 0 HA VAL A 34 5.929 6.597 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 34 8.783 5.552 -9.923 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.964 6.636 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.753 7.825 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.381 7.407 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.974 4.380 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.350 5.059 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.044 3.927 -9.363 1.00 0.00 H new ATOM 489 N ASP A 35 6.539 8.704 -11.233 1.00 0.00 N ATOM 490 CA ASP A 35 6.918 10.008 -11.764 1.00 0.00 C ATOM 491 C ASP A 35 7.713 10.804 -10.734 1.00 0.00 C ATOM 492 O ASP A 35 7.159 11.294 -9.749 1.00 0.00 O ATOM 493 CB ASP A 35 5.674 10.793 -12.184 1.00 0.00 C ATOM 494 CG ASP A 35 5.963 12.266 -12.397 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.150 12.621 -12.556 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.002 13.063 -12.405 1.00 0.00 O ATOM 0 H ASP A 35 5.547 8.609 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 35 7.549 9.847 -12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.273 10.368 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.904 10.684 -11.420 1.00 0.00 H new ATOM 501 N THR A 36 9.016 10.929 -10.967 1.00 0.00 N ATOM 502 CA THR A 36 9.888 11.663 -10.059 1.00 0.00 C ATOM 503 C THR A 36 10.658 12.752 -10.796 1.00 0.00 C ATOM 504 O THR A 36 11.417 13.508 -10.189 1.00 0.00 O ATOM 505 CB THR A 36 10.890 10.725 -9.360 1.00 0.00 C ATOM 506 OG1 THR A 36 11.412 9.779 -10.300 1.00 0.00 O ATOM 507 CG2 THR A 36 10.227 9.987 -8.206 1.00 0.00 C ATOM 0 H THR A 36 9.490 10.531 -11.777 1.00 0.00 H new ATOM 0 HA THR A 36 9.246 12.121 -9.307 1.00 0.00 H new ATOM 0 HB THR A 36 11.705 11.331 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.732 10.252 -11.097 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.954 9.331 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.856 10.708 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.395 9.392 -8.584 1.00 0.00 H new ATOM 515 N ARG A 37 10.457 12.828 -12.107 1.00 0.00 N ATOM 516 CA ARG A 37 11.134 13.826 -12.928 1.00 0.00 C ATOM 517 C ARG A 37 10.542 15.213 -12.696 1.00 0.00 C ATOM 518 O ARG A 37 11.243 16.221 -12.787 1.00 0.00 O ATOM 519 CB ARG A 37 11.029 13.456 -14.409 1.00 0.00 C ATOM 520 CG ARG A 37 9.597 13.317 -14.901 1.00 0.00 C ATOM 521 CD ARG A 37 9.549 12.924 -16.370 1.00 0.00 C ATOM 522 NE ARG A 37 8.314 12.223 -16.708 1.00 0.00 N ATOM 523 CZ ARG A 37 7.182 12.842 -17.025 1.00 0.00 C ATOM 524 NH1 ARG A 37 7.129 14.166 -17.047 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.099 12.134 -17.322 1.00 0.00 N ATOM 0 H ARG A 37 9.831 12.211 -12.624 1.00 0.00 H new ATOM 0 HA ARG A 37 12.185 13.845 -12.639 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.536 14.217 -15.002 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.556 12.517 -14.579 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.077 12.567 -14.305 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.069 14.260 -14.758 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.639 13.818 -16.988 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.403 12.288 -16.603 1.00 0.00 H new ATOM 0 HE ARG A 37 8.320 11.203 -16.700 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.959 14.713 -16.820 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.258 14.638 -17.291 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.136 11.115 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.230 12.609 -17.565 1.00 0.00 H new ATOM 539 N ASP A 38 9.249 15.256 -12.396 1.00 0.00 N ATOM 540 CA ASP A 38 8.562 16.519 -12.150 1.00 0.00 C ATOM 541 C ASP A 38 8.730 16.955 -10.698 1.00 0.00 C ATOM 542 O ASP A 38 8.453 18.101 -10.348 1.00 0.00 O ATOM 543 CB ASP A 38 7.076 16.391 -12.489 1.00 0.00 C ATOM 544 CG ASP A 38 6.450 17.721 -12.859 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.799 18.738 -12.224 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.611 17.745 -13.783 1.00 0.00 O ATOM 0 H ASP A 38 8.655 14.431 -12.317 1.00 0.00 H new ATOM 0 HA ASP A 38 9.008 17.278 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.954 15.693 -13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.547 15.969 -11.635 1.00 0.00 H new ATOM 551 N ALA A 39 9.184 16.031 -9.857 1.00 0.00 N ATOM 552 CA ALA A 39 9.389 16.320 -8.443 1.00 0.00 C ATOM 553 C ALA A 39 10.763 16.935 -8.202 1.00 0.00 C ATOM 554 O ALA A 39 10.875 18.062 -7.723 1.00 0.00 O ATOM 555 CB ALA A 39 9.222 15.054 -7.616 1.00 0.00 C ATOM 0 H ALA A 39 9.417 15.076 -10.131 1.00 0.00 H new ATOM 0 HA ALA A 39 8.636 17.045 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.378 15.285 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.216 14.658 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.952 14.311 -7.937 1.00 0.00 H new ATOM 561 N GLY A 40 11.809 16.184 -8.537 1.00 0.00 N ATOM 562 CA GLY A 40 13.163 16.672 -8.349 1.00 0.00 C ATOM 563 C GLY A 40 14.169 15.548 -8.204 1.00 0.00 C ATOM 564 O GLY A 40 14.490 14.864 -9.176 1.00 0.00 O ATOM 0 H GLY A 40 11.742 15.247 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.441 17.298 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.198 17.304 -7.462 1.00 0.00 H new ATOM 568 N TYR A 41 14.670 15.357 -6.989 1.00 0.00 N ATOM 569 CA TYR A 41 15.649 14.310 -6.721 1.00 0.00 C ATOM 570 C TYR A 41 15.570 13.849 -5.269 1.00 0.00 C ATOM 571 O TYR A 41 15.002 14.532 -4.418 1.00 0.00 O ATOM 572 CB TYR A 41 17.060 14.812 -7.033 1.00 0.00 C ATOM 573 CG TYR A 41 18.124 13.746 -6.900 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.382 12.860 -7.939 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.872 13.624 -5.735 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.353 11.885 -7.822 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.846 12.652 -5.610 1.00 0.00 C ATOM 578 CZ TYR A 41 20.082 11.785 -6.656 1.00 0.00 C ATOM 579 OH TYR A 41 21.050 10.815 -6.534 1.00 0.00 O ATOM 0 H TYR A 41 14.414 15.914 -6.173 1.00 0.00 H new ATOM 0 HA TYR A 41 15.422 13.461 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.080 15.209 -8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.299 15.638 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.813 12.935 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.689 14.301 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.540 11.204 -8.639 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.419 12.572 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 41 21.471 10.882 -5.651 1.00 0.00 H new ATOM 589 N GLY A 42 16.146 12.682 -4.994 1.00 0.00 N ATOM 590 CA GLY A 42 16.131 12.148 -3.644 1.00 0.00 C ATOM 591 C GLY A 42 16.127 10.632 -3.621 1.00 0.00 C ATOM 592 O GLY A 42 15.863 9.990 -4.636 1.00 0.00 O ATOM 0 H GLY A 42 16.622 12.098 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.003 12.514 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.250 12.519 -3.120 1.00 0.00 H new ATOM 596 N GLY A 43 16.424 10.059 -2.459 1.00 0.00 N ATOM 597 CA GLY A 43 16.451 8.614 -2.330 1.00 0.00 C ATOM 598 C GLY A 43 15.061 8.013 -2.263 1.00 0.00 C ATOM 599 O GLY A 43 14.291 8.312 -1.349 1.00 0.00 O ATOM 0 H GLY A 43 16.646 10.570 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.988 8.186 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.005 8.343 -1.431 1.00 0.00 H new ATOM 603 N ILE A 44 14.738 7.164 -3.233 1.00 0.00 N ATOM 604 CA ILE A 44 13.431 6.520 -3.280 1.00 0.00 C ATOM 605 C ILE A 44 13.428 5.224 -2.478 1.00 0.00 C ATOM 606 O ILE A 44 14.299 4.371 -2.652 1.00 0.00 O ATOM 607 CB ILE A 44 13.006 6.215 -4.729 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.900 7.510 -5.536 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.683 5.464 -4.746 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.855 7.288 -7.032 1.00 0.00 C ATOM 0 H ILE A 44 15.363 6.906 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 44 12.719 7.218 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 44 13.766 5.584 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.002 8.047 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.751 8.148 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.396 5.256 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.790 4.525 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.913 6.072 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.780 8.249 -7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.764 6.779 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.989 6.676 -7.283 1.00 0.00 H new ATOM 622 N SER A 45 12.441 5.081 -1.598 1.00 0.00 N ATOM 623 CA SER A 45 12.325 3.889 -0.767 1.00 0.00 C ATOM 624 C SER A 45 11.047 3.121 -1.093 1.00 0.00 C ATOM 625 O SER A 45 9.940 3.631 -0.916 1.00 0.00 O ATOM 626 CB SER A 45 12.339 4.271 0.715 1.00 0.00 C ATOM 627 OG SER A 45 13.661 4.284 1.225 1.00 0.00 O ATOM 0 H SER A 45 11.711 5.776 -1.443 1.00 0.00 H new ATOM 0 HA SER A 45 13.179 3.245 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.886 5.254 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.734 3.564 1.282 1.00 0.00 H new ATOM 0 HG SER A 45 13.644 4.532 2.173 1.00 0.00 H new ATOM 633 N LEU A 46 11.209 1.892 -1.571 1.00 0.00 N ATOM 634 CA LEU A 46 10.069 1.052 -1.923 1.00 0.00 C ATOM 635 C LEU A 46 10.137 -0.288 -1.198 1.00 0.00 C ATOM 636 O LEU A 46 11.160 -0.970 -1.228 1.00 0.00 O ATOM 637 CB LEU A 46 10.025 0.826 -3.435 1.00 0.00 C ATOM 638 CG LEU A 46 9.804 2.072 -4.294 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.441 1.896 -5.664 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.318 2.370 -4.429 1.00 0.00 C ATOM 0 H LEU A 46 12.118 1.455 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 46 9.159 1.566 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.962 0.360 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.229 0.113 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 46 10.281 2.919 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.273 2.792 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.512 1.732 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.994 1.037 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.180 3.260 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.818 1.523 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.890 2.541 -3.441 1.00 0.00 H new ATOM 652 N ALA A 47 9.038 -0.660 -0.550 1.00 0.00 N ATOM 653 CA ALA A 47 8.971 -1.921 0.179 1.00 0.00 C ATOM 654 C ALA A 47 7.527 -2.378 0.354 1.00 0.00 C ATOM 655 O ALA A 47 6.719 -1.690 0.978 1.00 0.00 O ATOM 656 CB ALA A 47 9.651 -1.785 1.533 1.00 0.00 C ATOM 0 H ALA A 47 8.182 -0.106 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 47 9.496 -2.677 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.593 -2.734 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.697 -1.513 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.151 -1.011 2.115 1.00 0.00 H new ATOM 662 N VAL A 48 7.208 -3.543 -0.202 1.00 0.00 N ATOM 663 CA VAL A 48 5.860 -4.092 -0.107 1.00 0.00 C ATOM 664 C VAL A 48 5.724 -5.007 1.105 1.00 0.00 C ATOM 665 O VAL A 48 6.497 -5.949 1.273 1.00 0.00 O ATOM 666 CB VAL A 48 5.484 -4.879 -1.376 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.119 -5.531 -1.215 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.509 -3.969 -2.594 1.00 0.00 C ATOM 0 H VAL A 48 7.864 -4.125 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 48 5.180 -3.247 0.002 1.00 0.00 H new ATOM 0 HB VAL A 48 6.221 -5.668 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.870 -6.083 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.141 -6.216 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.367 -4.762 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.241 -4.542 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.795 -3.157 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.510 -3.555 -2.718 1.00 0.00 H new ATOM 678 N GLU A 49 4.735 -4.722 1.946 1.00 0.00 N ATOM 679 CA GLU A 49 4.498 -5.520 3.144 1.00 0.00 C ATOM 680 C GLU A 49 3.103 -6.138 3.118 1.00 0.00 C ATOM 681 O GLU A 49 2.098 -5.434 3.212 1.00 0.00 O ATOM 682 CB GLU A 49 4.663 -4.660 4.398 1.00 0.00 C ATOM 683 CG GLU A 49 6.107 -4.297 4.700 1.00 0.00 C ATOM 684 CD GLU A 49 6.801 -5.332 5.564 1.00 0.00 C ATOM 685 OE1 GLU A 49 6.430 -5.462 6.749 1.00 0.00 O ATOM 686 OE2 GLU A 49 7.715 -6.013 5.053 1.00 0.00 O ATOM 0 H GLU A 49 4.086 -3.946 1.820 1.00 0.00 H new ATOM 0 HA GLU A 49 5.233 -6.324 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.084 -3.744 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.245 -5.193 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.653 -4.186 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.137 -3.330 5.203 1.00 0.00 H new ATOM 693 N GLY A 50 3.050 -7.461 2.989 1.00 0.00 N ATOM 694 CA GLY A 50 1.774 -8.152 2.953 1.00 0.00 C ATOM 695 C GLY A 50 1.803 -9.462 3.715 1.00 0.00 C ATOM 696 O GLY A 50 2.635 -9.674 4.597 1.00 0.00 O ATOM 0 H GLY A 50 3.867 -8.066 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.003 -7.507 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.497 -8.344 1.916 1.00 0.00 H new ATOM 700 N PRO A 51 0.874 -10.368 3.377 1.00 0.00 N ATOM 701 CA PRO A 51 0.774 -11.679 4.024 1.00 0.00 C ATOM 702 C PRO A 51 1.939 -12.594 3.663 1.00 0.00 C ATOM 703 O PRO A 51 2.034 -13.718 4.157 1.00 0.00 O ATOM 704 CB PRO A 51 -0.540 -12.246 3.479 1.00 0.00 C ATOM 705 CG PRO A 51 -0.734 -11.559 2.171 1.00 0.00 C ATOM 706 CD PRO A 51 -0.151 -10.183 2.335 1.00 0.00 C ATOM 0 HA PRO A 51 0.801 -11.599 5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.483 -13.327 3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.369 -12.047 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.235 -12.101 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.791 -11.506 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.283 -9.817 1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.908 -9.460 2.640 1.00 0.00 H new ATOM 714 N SER A 52 2.824 -12.106 2.800 1.00 0.00 N ATOM 715 CA SER A 52 3.982 -12.882 2.371 1.00 0.00 C ATOM 716 C SER A 52 5.121 -11.963 1.938 1.00 0.00 C ATOM 717 O SER A 52 5.012 -10.740 2.018 1.00 0.00 O ATOM 718 CB SER A 52 3.598 -13.815 1.221 1.00 0.00 C ATOM 719 OG SER A 52 4.542 -14.862 1.078 1.00 0.00 O ATOM 0 H SER A 52 2.761 -11.177 2.384 1.00 0.00 H new ATOM 0 HA SER A 52 4.323 -13.480 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.609 -14.235 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.536 -13.247 0.293 1.00 0.00 H new ATOM 0 HG SER A 52 4.490 -15.228 0.170 1.00 0.00 H new ATOM 725 N LYS A 53 6.213 -12.563 1.479 1.00 0.00 N ATOM 726 CA LYS A 53 7.374 -11.802 1.031 1.00 0.00 C ATOM 727 C LYS A 53 7.404 -11.700 -0.491 1.00 0.00 C ATOM 728 O LYS A 53 7.187 -12.687 -1.193 1.00 0.00 O ATOM 729 CB LYS A 53 8.663 -12.455 1.534 1.00 0.00 C ATOM 730 CG LYS A 53 9.925 -11.808 0.992 1.00 0.00 C ATOM 731 CD LYS A 53 11.170 -12.568 1.417 1.00 0.00 C ATOM 732 CE LYS A 53 11.655 -12.121 2.788 1.00 0.00 C ATOM 733 NZ LYS A 53 13.054 -12.558 3.051 1.00 0.00 N ATOM 0 H LYS A 53 6.319 -13.575 1.407 1.00 0.00 H new ATOM 0 HA LYS A 53 7.298 -10.796 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.681 -12.411 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.658 -13.509 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.876 -11.769 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.988 -10.779 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.956 -13.637 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.960 -12.414 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.594 -11.035 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.997 -12.527 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.347 -12.234 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.107 -13.596 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.686 -12.150 2.333 1.00 0.00 H new ATOM 747 N VAL A 54 7.676 -10.500 -0.994 1.00 0.00 N ATOM 748 CA VAL A 54 7.737 -10.270 -2.432 1.00 0.00 C ATOM 749 C VAL A 54 9.056 -9.617 -2.829 1.00 0.00 C ATOM 750 O VAL A 54 9.569 -8.750 -2.120 1.00 0.00 O ATOM 751 CB VAL A 54 6.573 -9.381 -2.908 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.333 -10.221 -3.173 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.281 -8.293 -1.886 1.00 0.00 C ATOM 0 H VAL A 54 7.858 -9.672 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 54 7.659 -11.246 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 54 6.864 -8.901 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.521 -9.576 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.552 -10.959 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.036 -10.731 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.456 -7.674 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.010 -8.751 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.167 -7.673 -1.751 1.00 0.00 H new ATOM 763 N ASP A 55 9.600 -10.038 -3.965 1.00 0.00 N ATOM 764 CA ASP A 55 10.860 -9.492 -4.458 1.00 0.00 C ATOM 765 C ASP A 55 10.632 -8.172 -5.186 1.00 0.00 C ATOM 766 O ASP A 55 9.977 -8.132 -6.229 1.00 0.00 O ATOM 767 CB ASP A 55 11.543 -10.493 -5.391 1.00 0.00 C ATOM 768 CG ASP A 55 11.940 -11.771 -4.679 1.00 0.00 C ATOM 769 OD1 ASP A 55 11.035 -12.512 -4.242 1.00 0.00 O ATOM 770 OD2 ASP A 55 13.156 -12.030 -4.557 1.00 0.00 O ATOM 0 H ASP A 55 9.189 -10.755 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 55 11.508 -9.306 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.871 -10.733 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.430 -10.033 -5.826 1.00 0.00 H new ATOM 775 N ILE A 56 11.175 -7.094 -4.631 1.00 0.00 N ATOM 776 CA ILE A 56 11.031 -5.772 -5.228 1.00 0.00 C ATOM 777 C ILE A 56 12.200 -5.457 -6.155 1.00 0.00 C ATOM 778 O ILE A 56 13.353 -5.422 -5.725 1.00 0.00 O ATOM 779 CB ILE A 56 10.934 -4.675 -4.152 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.882 -5.049 -3.105 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.602 -3.335 -4.790 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.481 -4.617 -3.477 1.00 0.00 C ATOM 0 H ILE A 56 11.719 -7.110 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 56 10.106 -5.786 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 56 11.900 -4.588 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.894 -6.129 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.152 -4.595 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.537 -2.570 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.384 -3.067 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.647 -3.407 -5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.788 -4.914 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.453 -3.534 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.191 -5.091 -4.415 1.00 0.00 H new ATOM 794 N GLN A 57 11.894 -5.227 -7.428 1.00 0.00 N ATOM 795 CA GLN A 57 12.920 -4.914 -8.415 1.00 0.00 C ATOM 796 C GLN A 57 12.695 -3.529 -9.014 1.00 0.00 C ATOM 797 O GLN A 57 11.611 -3.226 -9.515 1.00 0.00 O ATOM 798 CB GLN A 57 12.929 -5.967 -9.524 1.00 0.00 C ATOM 799 CG GLN A 57 13.490 -7.310 -9.084 1.00 0.00 C ATOM 800 CD GLN A 57 13.656 -8.279 -10.237 1.00 0.00 C ATOM 801 OE1 GLN A 57 14.516 -8.096 -11.099 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.830 -9.320 -10.259 1.00 0.00 N ATOM 0 H GLN A 57 10.944 -5.252 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 57 13.887 -4.919 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.911 -6.109 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.517 -5.594 -10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.455 -7.156 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.828 -7.749 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.132 -9.433 -9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.894 -10.006 -11.011 1.00 0.00 H new ATOM 811 N THR A 58 13.725 -2.691 -8.959 1.00 0.00 N ATOM 812 CA THR A 58 13.639 -1.338 -9.495 1.00 0.00 C ATOM 813 C THR A 58 14.626 -1.136 -10.638 1.00 0.00 C ATOM 814 O THR A 58 15.629 -1.842 -10.736 1.00 0.00 O ATOM 815 CB THR A 58 13.910 -0.284 -8.405 1.00 0.00 C ATOM 816 OG1 THR A 58 15.164 -0.551 -7.767 1.00 0.00 O ATOM 817 CG2 THR A 58 12.798 -0.281 -7.367 1.00 0.00 C ATOM 0 H THR A 58 14.629 -2.925 -8.549 1.00 0.00 H new ATOM 0 HA THR A 58 12.623 -1.210 -9.869 1.00 0.00 H new ATOM 0 HB THR A 58 13.945 0.697 -8.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.330 0.124 -7.076 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.011 0.471 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.849 -0.049 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.736 -1.263 -6.898 1.00 0.00 H new ATOM 825 N GLU A 59 14.336 -0.166 -11.500 1.00 0.00 N ATOM 826 CA GLU A 59 15.200 0.128 -12.637 1.00 0.00 C ATOM 827 C GLU A 59 15.017 1.571 -13.101 1.00 0.00 C ATOM 828 O GLU A 59 13.898 2.082 -13.146 1.00 0.00 O ATOM 829 CB GLU A 59 14.906 -0.831 -13.792 1.00 0.00 C ATOM 830 CG GLU A 59 15.613 -0.463 -15.085 1.00 0.00 C ATOM 831 CD GLU A 59 15.448 -1.518 -16.161 1.00 0.00 C ATOM 832 OE1 GLU A 59 15.737 -2.701 -15.883 1.00 0.00 O ATOM 833 OE2 GLU A 59 15.030 -1.161 -17.283 1.00 0.00 O ATOM 0 H GLU A 59 13.510 0.429 -11.432 1.00 0.00 H new ATOM 0 HA GLU A 59 16.234 -0.005 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.202 -1.839 -13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.831 -0.853 -13.970 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.223 0.487 -15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.674 -0.316 -14.885 1.00 0.00 H new ATOM 840 N ASP A 60 16.123 2.221 -13.443 1.00 0.00 N ATOM 841 CA ASP A 60 16.086 3.604 -13.904 1.00 0.00 C ATOM 842 C ASP A 60 15.804 3.671 -15.402 1.00 0.00 C ATOM 843 O ASP A 60 16.618 3.237 -16.218 1.00 0.00 O ATOM 844 CB ASP A 60 17.409 4.304 -13.590 1.00 0.00 C ATOM 845 CG ASP A 60 17.718 5.422 -14.567 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.174 6.533 -14.389 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.505 5.187 -15.507 1.00 0.00 O ATOM 0 H ASP A 60 17.057 1.813 -13.410 1.00 0.00 H new ATOM 0 HA ASP A 60 15.279 4.115 -13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.371 4.709 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.217 3.573 -13.611 1.00 0.00 H new ATOM 852 N LEU A 61 14.645 4.214 -15.756 1.00 0.00 N ATOM 853 CA LEU A 61 14.254 4.337 -17.156 1.00 0.00 C ATOM 854 C LEU A 61 14.844 5.598 -17.778 1.00 0.00 C ATOM 855 O LEU A 61 15.509 6.382 -17.102 1.00 0.00 O ATOM 856 CB LEU A 61 12.729 4.359 -17.280 1.00 0.00 C ATOM 857 CG LEU A 61 11.987 3.181 -16.647 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.515 3.515 -16.462 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.149 1.930 -17.498 1.00 0.00 C ATOM 0 H LEU A 61 13.959 4.576 -15.093 1.00 0.00 H new ATOM 0 HA LEU A 61 14.644 3.473 -17.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.361 5.280 -16.827 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.471 4.399 -18.338 1.00 0.00 H new ATOM 0 HG LEU A 61 12.421 2.988 -15.666 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.003 2.665 -16.010 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.418 4.384 -15.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.067 3.735 -17.431 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.615 1.102 -17.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.742 2.111 -18.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.207 1.680 -17.579 1.00 0.00 H new ATOM 871 N GLU A 62 14.594 5.788 -19.070 1.00 0.00 N ATOM 872 CA GLU A 62 15.100 6.955 -19.782 1.00 0.00 C ATOM 873 C GLU A 62 14.247 8.185 -19.486 1.00 0.00 C ATOM 874 O GLU A 62 14.712 9.319 -19.604 1.00 0.00 O ATOM 875 CB GLU A 62 15.126 6.690 -21.289 1.00 0.00 C ATOM 876 CG GLU A 62 16.235 5.745 -21.721 1.00 0.00 C ATOM 877 CD GLU A 62 17.541 6.465 -21.994 1.00 0.00 C ATOM 878 OE1 GLU A 62 17.638 7.141 -23.040 1.00 0.00 O ATOM 879 OE2 GLU A 62 18.466 6.352 -21.163 1.00 0.00 O ATOM 0 H GLU A 62 14.044 5.149 -19.644 1.00 0.00 H new ATOM 0 HA GLU A 62 16.116 7.147 -19.437 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.166 6.273 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.243 7.638 -21.814 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.392 4.996 -20.944 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.924 5.212 -22.619 1.00 0.00 H new ATOM 886 N ASP A 63 12.997 7.952 -19.102 1.00 0.00 N ATOM 887 CA ASP A 63 12.078 9.040 -18.788 1.00 0.00 C ATOM 888 C ASP A 63 12.425 9.674 -17.444 1.00 0.00 C ATOM 889 O ASP A 63 12.027 10.802 -17.157 1.00 0.00 O ATOM 890 CB ASP A 63 10.637 8.529 -18.768 1.00 0.00 C ATOM 891 CG ASP A 63 10.099 8.258 -20.159 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.671 8.794 -21.132 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.106 7.510 -20.276 1.00 0.00 O ATOM 0 H ASP A 63 12.597 7.019 -19.001 1.00 0.00 H new ATOM 0 HA ASP A 63 12.175 9.800 -19.564 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.587 7.614 -18.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.001 9.263 -18.272 1.00 0.00 H new ATOM 898 N GLY A 64 13.169 8.939 -16.623 1.00 0.00 N ATOM 899 CA GLY A 64 13.556 9.445 -15.319 1.00 0.00 C ATOM 900 C GLY A 64 12.654 8.940 -14.211 1.00 0.00 C ATOM 901 O GLY A 64 12.724 9.416 -13.077 1.00 0.00 O ATOM 0 H GLY A 64 13.511 8.002 -16.838 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.584 9.151 -15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.533 10.535 -15.334 1.00 0.00 H new ATOM 905 N THR A 65 11.802 7.973 -14.537 1.00 0.00 N ATOM 906 CA THR A 65 10.880 7.405 -13.562 1.00 0.00 C ATOM 907 C THR A 65 11.347 6.029 -13.100 1.00 0.00 C ATOM 908 O THR A 65 12.134 5.370 -13.781 1.00 0.00 O ATOM 909 CB THR A 65 9.457 7.286 -14.137 1.00 0.00 C ATOM 910 OG1 THR A 65 9.443 6.348 -15.219 1.00 0.00 O ATOM 911 CG2 THR A 65 8.954 8.637 -14.623 1.00 0.00 C ATOM 0 H THR A 65 11.732 7.567 -15.470 1.00 0.00 H new ATOM 0 HA THR A 65 10.863 8.085 -12.710 1.00 0.00 H new ATOM 0 HB THR A 65 8.797 6.935 -13.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.534 6.277 -15.578 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.947 8.527 -15.025 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.938 9.340 -13.790 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.617 9.013 -15.403 1.00 0.00 H new ATOM 919 N CYS A 66 10.857 5.601 -11.942 1.00 0.00 N ATOM 920 CA CYS A 66 11.225 4.302 -11.390 1.00 0.00 C ATOM 921 C CYS A 66 10.072 3.312 -11.515 1.00 0.00 C ATOM 922 O CYS A 66 8.969 3.562 -11.028 1.00 0.00 O ATOM 923 CB CYS A 66 11.633 4.446 -9.923 1.00 0.00 C ATOM 924 SG CYS A 66 13.390 4.794 -9.676 1.00 0.00 S ATOM 0 H CYS A 66 10.204 6.134 -11.367 1.00 0.00 H new ATOM 0 HA CYS A 66 12.072 3.919 -11.959 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.048 5.247 -9.471 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.378 3.528 -9.394 1.00 0.00 H new ATOM 0 HG CYS A 66 13.679 4.692 -8.413 1.00 0.00 H new ATOM 930 N LYS A 67 10.333 2.188 -12.173 1.00 0.00 N ATOM 931 CA LYS A 67 9.318 1.159 -12.364 1.00 0.00 C ATOM 932 C LYS A 67 9.532 -0.003 -11.399 1.00 0.00 C ATOM 933 O LYS A 67 10.453 -0.802 -11.568 1.00 0.00 O ATOM 934 CB LYS A 67 9.344 0.649 -13.806 1.00 0.00 C ATOM 935 CG LYS A 67 8.293 -0.408 -14.097 1.00 0.00 C ATOM 936 CD LYS A 67 8.073 -0.581 -15.591 1.00 0.00 C ATOM 937 CE LYS A 67 9.224 -1.334 -16.240 1.00 0.00 C ATOM 938 NZ LYS A 67 8.925 -1.690 -17.655 1.00 0.00 N ATOM 0 H LYS A 67 11.240 1.966 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 67 8.344 1.603 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.198 1.491 -14.483 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.330 0.237 -14.019 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.602 -1.358 -13.662 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.353 -0.129 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.141 -1.120 -15.763 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.966 0.397 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.126 -0.723 -16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.430 -2.242 -15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.733 -2.202 -18.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.079 -2.294 -17.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.753 -0.823 -18.202 1.00 0.00 H new ATOM 952 N VAL A 68 8.675 -0.091 -10.386 1.00 0.00 N ATOM 953 CA VAL A 68 8.770 -1.156 -9.395 1.00 0.00 C ATOM 954 C VAL A 68 8.147 -2.447 -9.915 1.00 0.00 C ATOM 955 O VAL A 68 7.190 -2.419 -10.690 1.00 0.00 O ATOM 956 CB VAL A 68 8.078 -0.760 -8.077 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.372 -1.784 -6.991 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.517 0.630 -7.643 1.00 0.00 C ATOM 0 H VAL A 68 7.907 0.563 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 68 9.831 -1.318 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 68 7.001 -0.741 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.875 -1.488 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.004 -2.761 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.448 -1.838 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.019 0.894 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.597 0.640 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.251 1.353 -8.414 1.00 0.00 H new ATOM 968 N SER A 69 8.696 -3.578 -9.484 1.00 0.00 N ATOM 969 CA SER A 69 8.196 -4.881 -9.908 1.00 0.00 C ATOM 970 C SER A 69 8.237 -5.880 -8.757 1.00 0.00 C ATOM 971 O SER A 69 9.246 -6.000 -8.060 1.00 0.00 O ATOM 972 CB SER A 69 9.019 -5.407 -11.086 1.00 0.00 C ATOM 973 OG SER A 69 9.382 -4.357 -11.965 1.00 0.00 O ATOM 0 H SER A 69 9.487 -3.619 -8.841 1.00 0.00 H new ATOM 0 HA SER A 69 7.160 -4.760 -10.223 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.917 -5.901 -10.714 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.444 -6.157 -11.629 1.00 0.00 H new ATOM 0 HG SER A 69 9.908 -4.720 -12.708 1.00 0.00 H new ATOM 979 N TYR A 70 7.135 -6.596 -8.562 1.00 0.00 N ATOM 980 CA TYR A 70 7.043 -7.583 -7.494 1.00 0.00 C ATOM 981 C TYR A 70 6.158 -8.754 -7.909 1.00 0.00 C ATOM 982 O TYR A 70 5.245 -8.600 -8.721 1.00 0.00 O ATOM 983 CB TYR A 70 6.492 -6.939 -6.221 1.00 0.00 C ATOM 984 CG TYR A 70 5.025 -6.583 -6.309 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.045 -7.495 -5.939 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.620 -5.333 -6.761 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.704 -7.174 -6.019 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.281 -5.003 -6.842 1.00 0.00 C ATOM 989 CZ TYR A 70 2.327 -5.927 -6.471 1.00 0.00 C ATOM 990 OH TYR A 70 0.992 -5.602 -6.550 1.00 0.00 O ATOM 0 H TYR A 70 6.292 -6.511 -9.131 1.00 0.00 H new ATOM 0 HA TYR A 70 8.046 -7.961 -7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.642 -7.621 -5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.064 -6.037 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.337 -8.472 -5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.364 -4.607 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.955 -7.896 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.983 -4.026 -7.194 1.00 0.00 H new ATOM 0 HH TYR A 70 0.898 -4.686 -6.886 1.00 0.00 H new ATOM 1000 N PHE A 71 6.434 -9.926 -7.345 1.00 0.00 N ATOM 1001 CA PHE A 71 5.663 -11.124 -7.656 1.00 0.00 C ATOM 1002 C PHE A 71 5.077 -11.737 -6.388 1.00 0.00 C ATOM 1003 O PHE A 71 5.749 -12.453 -5.645 1.00 0.00 O ATOM 1004 CB PHE A 71 6.544 -12.150 -8.372 1.00 0.00 C ATOM 1005 CG PHE A 71 5.762 -13.194 -9.118 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.118 -12.880 -10.304 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.672 -14.489 -8.633 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.398 -13.839 -10.992 1.00 0.00 C ATOM 1009 CE2 PHE A 71 4.953 -15.452 -9.317 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.316 -15.126 -10.498 1.00 0.00 C ATOM 0 H PHE A 71 7.185 -10.071 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 71 4.842 -10.838 -8.313 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.199 -11.630 -9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.185 -12.641 -7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.179 -11.875 -10.695 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.169 -14.749 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.900 -13.582 -11.915 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.890 -16.458 -8.928 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.754 -15.876 -11.035 1.00 0.00 H new ATOM 1020 N PRO A 72 3.791 -11.451 -6.133 1.00 0.00 N ATOM 1021 CA PRO A 72 3.085 -11.963 -4.955 1.00 0.00 C ATOM 1022 C PRO A 72 2.835 -13.466 -5.037 1.00 0.00 C ATOM 1023 O PRO A 72 2.738 -14.031 -6.127 1.00 0.00 O ATOM 1024 CB PRO A 72 1.758 -11.199 -4.977 1.00 0.00 C ATOM 1025 CG PRO A 72 1.555 -10.834 -6.407 1.00 0.00 C ATOM 1026 CD PRO A 72 2.929 -10.605 -6.975 1.00 0.00 C ATOM 0 HA PRO A 72 3.661 -11.820 -4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.940 -11.816 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.801 -10.312 -4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.039 -11.630 -6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.941 -9.938 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.983 -10.895 -8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.217 -9.555 -6.919 1.00 0.00 H new ATOM 1034 N THR A 73 2.733 -14.108 -3.878 1.00 0.00 N ATOM 1035 CA THR A 73 2.495 -15.545 -3.818 1.00 0.00 C ATOM 1036 C THR A 73 1.259 -15.864 -2.985 1.00 0.00 C ATOM 1037 O THR A 73 0.599 -16.880 -3.200 1.00 0.00 O ATOM 1038 CB THR A 73 3.706 -16.290 -3.226 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.044 -15.738 -1.948 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.906 -16.198 -4.156 1.00 0.00 C ATOM 0 H THR A 73 2.812 -13.655 -2.967 1.00 0.00 H new ATOM 0 HA THR A 73 2.335 -15.882 -4.842 1.00 0.00 H new ATOM 0 HB THR A 73 3.437 -17.340 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.814 -16.218 -1.577 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.749 -16.732 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.656 -16.645 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.175 -15.152 -4.301 1.00 0.00 H new ATOM 1048 N VAL A 74 0.951 -14.989 -2.033 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.208 -15.177 -1.168 1.00 0.00 C ATOM 1050 C VAL A 74 -1.201 -14.030 -1.323 1.00 0.00 C ATOM 1051 O VAL A 74 -0.835 -12.855 -1.318 1.00 0.00 O ATOM 1052 CB VAL A 74 0.207 -15.286 0.311 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.019 -15.404 1.202 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.142 -16.468 0.515 1.00 0.00 C ATOM 0 H VAL A 74 1.488 -14.143 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.683 -16.109 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 74 0.741 -14.378 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.706 -15.480 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.647 -14.522 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.584 -16.295 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.426 -16.530 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.636 -17.387 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.036 -16.334 -0.095 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.489 -14.378 -1.464 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.562 -13.392 -1.622 1.00 0.00 C ATOM 1066 C PRO A 75 -3.814 -12.600 -0.344 1.00 0.00 C ATOM 1067 O PRO A 75 -3.754 -13.144 0.758 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.782 -14.248 -1.970 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.487 -15.585 -1.382 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.996 -15.760 -1.480 1.00 0.00 C ATOM 0 HA PRO A 75 -3.320 -12.644 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.695 -13.824 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.926 -14.313 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.819 -15.637 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.009 -16.374 -1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.604 -16.342 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.712 -16.282 -2.394 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.097 -11.310 -0.498 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.354 -10.464 0.653 1.00 0.00 C ATOM 1080 C GLY A 76 -4.143 -8.993 0.351 1.00 0.00 C ATOM 1081 O GLY A 76 -4.311 -8.556 -0.788 1.00 0.00 O ATOM 0 H GLY A 76 -4.153 -10.836 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.378 -10.619 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.699 -10.761 1.472 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.775 -8.227 1.373 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.541 -6.797 1.211 1.00 0.00 C ATOM 1087 C VAL A 77 -2.058 -6.466 1.333 1.00 0.00 C ATOM 1088 O VAL A 77 -1.469 -6.594 2.406 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.326 -5.979 2.253 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.883 -4.524 2.234 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.822 -6.092 2.002 1.00 0.00 C ATOM 0 H VAL A 77 -3.632 -8.573 2.322 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.889 -6.530 0.213 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.115 -6.385 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.449 -3.962 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.820 -4.464 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.063 -4.102 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.361 -5.508 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.054 -5.713 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.125 -7.137 2.071 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.460 -6.039 0.226 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.044 -5.690 0.208 1.00 0.00 C ATOM 1103 C TYR A 78 0.145 -4.179 0.290 1.00 0.00 C ATOM 1104 O TYR A 78 -0.330 -3.435 -0.569 1.00 0.00 O ATOM 1105 CB TYR A 78 0.619 -6.231 -1.059 1.00 0.00 C ATOM 1106 CG TYR A 78 0.835 -7.727 -1.039 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.183 -8.601 -1.403 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.056 -8.268 -0.654 1.00 0.00 C ATOM 1109 CE1 TYR A 78 0.010 -9.969 -1.385 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.257 -9.634 -0.635 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.231 -10.480 -1.000 1.00 0.00 C ATOM 1112 OH TYR A 78 1.428 -11.842 -0.981 1.00 0.00 O ATOM 0 H TYR A 78 -1.934 -5.926 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 78 0.428 -6.144 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.002 -5.973 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.580 -5.736 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.141 -8.204 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.861 -7.609 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.791 -10.634 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.213 -10.038 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 78 0.702 -12.284 -1.469 1.00 0.00 H new ATOM 1122 N ILE A 79 0.844 -3.732 1.328 1.00 0.00 N ATOM 1123 CA ILE A 79 1.099 -2.310 1.522 1.00 0.00 C ATOM 1124 C ILE A 79 2.389 -1.883 0.829 1.00 0.00 C ATOM 1125 O ILE A 79 3.481 -2.298 1.217 1.00 0.00 O ATOM 1126 CB ILE A 79 1.190 -1.953 3.017 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.063 -2.429 3.755 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.378 -0.454 3.193 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.313 -1.666 3.376 1.00 0.00 C ATOM 0 H ILE A 79 1.244 -4.334 2.048 1.00 0.00 H new ATOM 0 HA ILE A 79 0.258 -1.776 1.080 1.00 0.00 H new ATOM 0 HB ILE A 79 2.055 -2.460 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.217 -3.488 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.099 -2.334 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.441 -0.217 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.297 -0.142 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.531 0.073 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.162 -2.057 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.179 -0.610 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.500 -1.781 2.308 1.00 0.00 H new ATOM 1141 N VAL A 80 2.255 -1.050 -0.197 1.00 0.00 N ATOM 1142 CA VAL A 80 3.410 -0.563 -0.943 1.00 0.00 C ATOM 1143 C VAL A 80 3.896 0.774 -0.394 1.00 0.00 C ATOM 1144 O VAL A 80 3.315 1.821 -0.679 1.00 0.00 O ATOM 1145 CB VAL A 80 3.085 -0.404 -2.440 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.243 0.260 -3.170 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.757 -1.753 -3.060 1.00 0.00 C ATOM 0 H VAL A 80 1.358 -0.698 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 80 4.198 -1.307 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 80 2.209 0.237 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.995 0.364 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.426 1.245 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.138 -0.353 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.530 -1.622 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.612 -2.420 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.894 -2.185 -2.555 1.00 0.00 H new ATOM 1157 N SER A 81 4.965 0.730 0.395 1.00 0.00 N ATOM 1158 CA SER A 81 5.527 1.938 0.987 1.00 0.00 C ATOM 1159 C SER A 81 6.345 2.717 -0.039 1.00 0.00 C ATOM 1160 O SER A 81 7.490 2.370 -0.331 1.00 0.00 O ATOM 1161 CB SER A 81 6.403 1.582 2.190 1.00 0.00 C ATOM 1162 OG SER A 81 5.631 1.492 3.374 1.00 0.00 O ATOM 0 H SER A 81 5.459 -0.129 0.639 1.00 0.00 H new ATOM 0 HA SER A 81 4.701 2.567 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.908 0.633 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.179 2.337 2.315 1.00 0.00 H new ATOM 0 HG SER A 81 6.214 1.262 4.128 1.00 0.00 H new ATOM 1168 N THR A 82 5.748 3.772 -0.585 1.00 0.00 N ATOM 1169 CA THR A 82 6.418 4.599 -1.580 1.00 0.00 C ATOM 1170 C THR A 82 6.908 5.906 -0.967 1.00 0.00 C ATOM 1171 O THR A 82 6.111 6.772 -0.606 1.00 0.00 O ATOM 1172 CB THR A 82 5.487 4.919 -2.765 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.669 3.782 -3.065 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.292 5.309 -3.995 1.00 0.00 C ATOM 0 H THR A 82 4.801 4.074 -0.354 1.00 0.00 H new ATOM 0 HA THR A 82 7.272 4.027 -1.943 1.00 0.00 H new ATOM 0 HB THR A 82 4.852 5.759 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.079 3.993 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.613 5.530 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.892 6.191 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.948 4.485 -4.277 1.00 0.00 H new ATOM 1182 N LYS A 83 8.225 6.044 -0.853 1.00 0.00 N ATOM 1183 CA LYS A 83 8.823 7.246 -0.286 1.00 0.00 C ATOM 1184 C LYS A 83 9.761 7.912 -1.288 1.00 0.00 C ATOM 1185 O LYS A 83 10.354 7.246 -2.137 1.00 0.00 O ATOM 1186 CB LYS A 83 9.588 6.905 0.995 1.00 0.00 C ATOM 1187 CG LYS A 83 8.728 6.951 2.247 1.00 0.00 C ATOM 1188 CD LYS A 83 9.578 7.010 3.505 1.00 0.00 C ATOM 1189 CE LYS A 83 10.000 5.621 3.959 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.117 5.675 4.942 1.00 0.00 N ATOM 0 H LYS A 83 8.899 5.337 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 83 8.020 7.943 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.019 5.909 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.418 7.602 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.073 7.822 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.086 6.071 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.464 7.618 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.017 7.499 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.147 5.110 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.306 5.033 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.376 4.709 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.940 6.140 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.817 6.214 5.779 1.00 0.00 H new ATOM 1204 N PHE A 84 9.891 9.231 -1.184 1.00 0.00 N ATOM 1205 CA PHE A 84 10.758 9.987 -2.081 1.00 0.00 C ATOM 1206 C PHE A 84 11.397 11.166 -1.354 1.00 0.00 C ATOM 1207 O PHE A 84 10.713 12.112 -0.963 1.00 0.00 O ATOM 1208 CB PHE A 84 9.964 10.487 -3.289 1.00 0.00 C ATOM 1209 CG PHE A 84 10.698 11.512 -4.105 1.00 0.00 C ATOM 1210 CD1 PHE A 84 10.584 12.862 -3.812 1.00 0.00 C ATOM 1211 CD2 PHE A 84 11.501 11.127 -5.166 1.00 0.00 C ATOM 1212 CE1 PHE A 84 11.257 13.807 -4.562 1.00 0.00 C ATOM 1213 CE2 PHE A 84 12.177 12.068 -5.920 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.056 13.410 -5.616 1.00 0.00 C ATOM 0 H PHE A 84 9.407 9.798 -0.488 1.00 0.00 H new ATOM 0 HA PHE A 84 11.551 9.323 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.714 9.639 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.023 10.915 -2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.962 13.179 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.600 10.079 -5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 84 11.158 14.856 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 84 12.799 11.754 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.585 14.147 -6.201 1.00 0.00 H new ATOM 1224 N ALA A 85 12.712 11.102 -1.176 1.00 0.00 N ATOM 1225 CA ALA A 85 13.444 12.164 -0.498 1.00 0.00 C ATOM 1226 C ALA A 85 13.016 12.281 0.961 1.00 0.00 C ATOM 1227 O ALA A 85 12.903 13.383 1.498 1.00 0.00 O ATOM 1228 CB ALA A 85 13.240 13.489 -1.218 1.00 0.00 C ATOM 0 H ALA A 85 13.293 10.325 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 85 14.504 11.911 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.793 14.273 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.602 13.406 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.179 13.738 -1.227 1.00 0.00 H new ATOM 1234 N ASP A 86 12.778 11.139 1.597 1.00 0.00 N ATOM 1235 CA ASP A 86 12.362 11.114 2.994 1.00 0.00 C ATOM 1236 C ASP A 86 10.954 11.679 3.152 1.00 0.00 C ATOM 1237 O ASP A 86 10.666 12.392 4.113 1.00 0.00 O ATOM 1238 CB ASP A 86 13.344 11.910 3.855 1.00 0.00 C ATOM 1239 CG ASP A 86 13.372 11.431 5.293 1.00 0.00 C ATOM 1240 OD1 ASP A 86 12.350 10.884 5.757 1.00 0.00 O ATOM 1241 OD2 ASP A 86 14.417 11.603 5.955 1.00 0.00 O ATOM 0 H ASP A 86 12.866 10.218 1.167 1.00 0.00 H new ATOM 0 HA ASP A 86 12.357 10.076 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.344 11.830 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.071 12.965 3.832 1.00 0.00 H new ATOM 1246 N GLU A 87 10.082 11.356 2.202 1.00 0.00 N ATOM 1247 CA GLU A 87 8.705 11.834 2.236 1.00 0.00 C ATOM 1248 C GLU A 87 7.783 10.892 1.468 1.00 0.00 C ATOM 1249 O GLU A 87 8.017 10.594 0.296 1.00 0.00 O ATOM 1250 CB GLU A 87 8.616 13.244 1.648 1.00 0.00 C ATOM 1251 CG GLU A 87 8.924 14.343 2.651 1.00 0.00 C ATOM 1252 CD GLU A 87 8.475 15.710 2.175 1.00 0.00 C ATOM 1253 OE1 GLU A 87 9.270 16.391 1.492 1.00 0.00 O ATOM 1254 OE2 GLU A 87 7.330 16.101 2.484 1.00 0.00 O ATOM 0 H GLU A 87 10.304 10.766 1.400 1.00 0.00 H new ATOM 0 HA GLU A 87 8.383 11.861 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.309 13.324 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.614 13.399 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.435 14.113 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.997 14.364 2.843 1.00 0.00 H new ATOM 1261 N HIS A 88 6.733 10.424 2.137 1.00 0.00 N ATOM 1262 CA HIS A 88 5.775 9.515 1.518 1.00 0.00 C ATOM 1263 C HIS A 88 4.879 10.259 0.533 1.00 0.00 C ATOM 1264 O HIS A 88 4.352 11.328 0.842 1.00 0.00 O ATOM 1265 CB HIS A 88 4.921 8.834 2.588 1.00 0.00 C ATOM 1266 CG HIS A 88 5.518 7.564 3.112 1.00 0.00 C ATOM 1267 ND1 HIS A 88 5.079 6.314 2.732 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.528 7.357 3.990 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.791 5.392 3.355 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.677 5.998 4.124 1.00 0.00 N ATOM 0 H HIS A 88 6.525 10.659 3.107 1.00 0.00 H new ATOM 0 HA HIS A 88 6.333 8.755 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.773 9.526 3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.936 8.619 2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.323 6.130 2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.108 8.118 4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.669 4.324 3.253 1.00 0.00 H new ATOM 1279 N VAL A 89 4.709 9.687 -0.655 1.00 0.00 N ATOM 1280 CA VAL A 89 3.877 10.295 -1.685 1.00 0.00 C ATOM 1281 C VAL A 89 2.533 10.735 -1.117 1.00 0.00 C ATOM 1282 O VAL A 89 2.064 10.225 -0.099 1.00 0.00 O ATOM 1283 CB VAL A 89 3.633 9.324 -2.856 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.830 9.307 -3.794 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.334 7.926 -2.335 1.00 0.00 C ATOM 0 H VAL A 89 5.137 8.802 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 89 4.417 11.168 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 89 2.766 9.671 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.639 8.616 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.994 10.308 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.716 8.985 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.164 7.253 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.180 7.568 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.443 7.954 -1.707 1.00 0.00 H new ATOM 1295 N PRO A 90 1.895 11.706 -1.788 1.00 0.00 N ATOM 1296 CA PRO A 90 0.595 12.237 -1.368 1.00 0.00 C ATOM 1297 C PRO A 90 -0.532 11.228 -1.562 1.00 0.00 C ATOM 1298 O PRO A 90 -1.246 11.265 -2.563 1.00 0.00 O ATOM 1299 CB PRO A 90 0.393 13.447 -2.284 1.00 0.00 C ATOM 1300 CG PRO A 90 1.209 13.146 -3.494 1.00 0.00 C ATOM 1301 CD PRO A 90 2.395 12.360 -3.009 1.00 0.00 C ATOM 0 HA PRO A 90 0.578 12.482 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.659 13.580 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.723 14.368 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.633 12.574 -4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.525 14.064 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.724 11.631 -3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.247 13.007 -2.798 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.687 10.328 -0.596 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.730 9.322 -0.679 1.00 0.00 C ATOM 1311 C GLY A 91 -1.294 7.986 -0.111 1.00 0.00 C ATOM 1312 O GLY A 91 -2.093 7.054 -0.015 1.00 0.00 O ATOM 0 H GLY A 91 -0.109 10.277 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.611 9.672 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.023 9.192 -1.721 1.00 0.00 H new ATOM 1316 N SER A 92 -0.023 7.891 0.265 1.00 0.00 N ATOM 1317 CA SER A 92 0.519 6.657 0.822 1.00 0.00 C ATOM 1318 C SER A 92 0.078 6.475 2.271 1.00 0.00 C ATOM 1319 O SER A 92 -0.343 7.417 2.942 1.00 0.00 O ATOM 1320 CB SER A 92 2.047 6.664 0.740 1.00 0.00 C ATOM 1321 OG SER A 92 2.496 6.053 -0.457 1.00 0.00 O ATOM 0 H SER A 92 0.651 8.653 0.194 1.00 0.00 H new ATOM 0 HA SER A 92 0.134 5.823 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.412 7.690 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.463 6.137 1.599 1.00 0.00 H new ATOM 0 HG SER A 92 1.753 5.996 -1.094 1.00 0.00 H new ATOM 1327 N PRO A 93 0.174 5.232 2.766 1.00 0.00 N ATOM 1328 CA PRO A 93 0.673 4.102 1.976 1.00 0.00 C ATOM 1329 C PRO A 93 -0.298 3.693 0.873 1.00 0.00 C ATOM 1330 O PRO A 93 -1.411 4.211 0.789 1.00 0.00 O ATOM 1331 CB PRO A 93 0.812 2.981 3.009 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.161 3.331 4.081 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.196 4.834 4.134 1.00 0.00 C ATOM 0 HA PRO A 93 1.603 4.343 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.586 2.009 2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.828 2.926 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.148 2.925 3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.148 2.914 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.185 5.204 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.505 5.227 4.870 1.00 0.00 H new ATOM 1341 N PHE A 94 0.131 2.760 0.030 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.700 2.281 -1.068 1.00 0.00 C ATOM 1343 C PHE A 94 -1.271 0.901 -0.757 1.00 0.00 C ATOM 1344 O PHE A 94 -0.532 -0.078 -0.638 1.00 0.00 O ATOM 1345 CB PHE A 94 0.111 2.230 -2.365 1.00 0.00 C ATOM 1346 CG PHE A 94 0.176 3.547 -3.084 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.446 4.716 -2.391 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.032 3.615 -4.452 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.507 5.930 -3.050 1.00 0.00 C ATOM 1350 CE2 PHE A 94 0.029 4.826 -5.116 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.297 5.985 -4.414 1.00 0.00 C ATOM 0 H PHE A 94 1.050 2.320 0.086 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.529 2.977 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.124 1.899 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.327 1.484 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.611 4.679 -1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.244 2.712 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.719 6.834 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.133 4.866 -6.183 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.342 6.932 -4.931 1.00 0.00 H new ATOM 1361 N THR A 95 -2.592 0.829 -0.625 1.00 0.00 N ATOM 1362 CA THR A 95 -3.263 -0.430 -0.326 1.00 0.00 C ATOM 1363 C THR A 95 -3.642 -1.168 -1.605 1.00 0.00 C ATOM 1364 O THR A 95 -4.511 -0.725 -2.355 1.00 0.00 O ATOM 1365 CB THR A 95 -4.531 -0.203 0.518 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.248 0.692 1.598 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.057 -1.520 1.068 1.00 0.00 C ATOM 0 H THR A 95 -3.218 1.628 -0.721 1.00 0.00 H new ATOM 0 HA THR A 95 -2.559 -1.036 0.245 1.00 0.00 H new ATOM 0 HB THR A 95 -5.295 0.235 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.060 0.832 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.953 -1.335 1.661 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.300 -2.188 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.295 -1.982 1.696 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.984 -2.298 -1.847 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.254 -3.100 -3.035 1.00 0.00 C ATOM 1377 C VAL A 96 -3.907 -4.427 -2.666 1.00 0.00 C ATOM 1378 O VAL A 96 -3.400 -5.168 -1.823 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.963 -3.378 -3.829 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.273 -4.168 -5.091 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.254 -2.075 -4.165 1.00 0.00 C ATOM 0 H VAL A 96 -2.261 -2.678 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.938 -2.523 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.297 -3.977 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.350 -4.355 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.734 -5.118 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.958 -3.598 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.344 -2.290 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.912 -1.448 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.997 -1.552 -3.244 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.035 -4.722 -3.303 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.758 -5.961 -3.044 1.00 0.00 C ATOM 1393 C LYS A 97 -5.350 -7.047 -4.034 1.00 0.00 C ATOM 1394 O LYS A 97 -5.447 -6.861 -5.248 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.267 -5.722 -3.126 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.879 -5.239 -1.823 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.397 -5.251 -1.881 1.00 0.00 C ATOM 1398 CE LYS A 97 -10.006 -4.502 -0.705 1.00 0.00 C ATOM 1399 NZ LYS A 97 -11.361 -3.973 -1.025 1.00 0.00 N ATOM 0 H LYS A 97 -5.468 -4.119 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.504 -6.297 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.468 -4.988 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.757 -6.648 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.540 -5.873 -1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.530 -4.229 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.730 -4.797 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.754 -6.281 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.070 -5.168 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.352 -3.677 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.741 -3.470 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.297 -3.318 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.993 -4.762 -1.270 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.896 -8.180 -3.510 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.476 -9.295 -4.349 1.00 0.00 C ATOM 1415 C ILE A 98 -5.452 -10.462 -4.241 1.00 0.00 C ATOM 1416 O ILE A 98 -5.679 -10.997 -3.155 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.065 -9.784 -3.971 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.046 -8.657 -4.154 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.681 -10.994 -4.810 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.079 -8.029 -5.529 1.00 0.00 C ATOM 0 H ILE A 98 -4.810 -8.350 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.462 -8.930 -5.376 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.068 -10.080 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.232 -7.886 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.046 -9.048 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.681 -11.328 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.394 -11.799 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.692 -10.723 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.331 -7.239 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.863 -8.788 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.067 -7.607 -5.713 1.00 0.00 H new ATOM 1432 N SER A 99 -6.025 -10.854 -5.374 1.00 0.00 N ATOM 1433 CA SER A 99 -6.979 -11.957 -5.407 1.00 0.00 C ATOM 1434 C SER A 99 -6.267 -13.283 -5.655 1.00 0.00 C ATOM 1435 O SER A 99 -5.164 -13.316 -6.200 1.00 0.00 O ATOM 1436 CB SER A 99 -8.030 -11.718 -6.492 1.00 0.00 C ATOM 1437 OG SER A 99 -9.254 -12.354 -6.166 1.00 0.00 O ATOM 0 H SER A 99 -5.846 -10.424 -6.282 1.00 0.00 H new ATOM 0 HA SER A 99 -7.474 -12.006 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.194 -10.647 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.664 -12.095 -7.447 1.00 0.00 H new ATOM 0 HG SER A 99 -9.910 -12.185 -6.874 1.00 0.00 H new ATOM 1443 N GLY A 100 -6.907 -14.376 -5.251 1.00 0.00 N ATOM 1444 CA GLY A 100 -6.321 -15.691 -5.437 1.00 0.00 C ATOM 1445 C GLY A 100 -7.289 -16.673 -6.065 1.00 0.00 C ATOM 1446 O GLY A 100 -7.582 -17.720 -5.487 1.00 0.00 O ATOM 0 H GLY A 100 -7.821 -14.374 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.436 -15.605 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.990 -16.078 -4.473 1.00 0.00 H new ATOM 1450 N GLU A 101 -7.789 -16.335 -7.249 1.00 0.00 N ATOM 1451 CA GLU A 101 -8.733 -17.196 -7.953 1.00 0.00 C ATOM 1452 C GLU A 101 -9.003 -16.670 -9.360 1.00 0.00 C ATOM 1453 O GLU A 101 -9.581 -15.598 -9.533 1.00 0.00 O ATOM 1454 CB GLU A 101 -10.045 -17.296 -7.174 1.00 0.00 C ATOM 1455 CG GLU A 101 -10.728 -15.956 -6.957 1.00 0.00 C ATOM 1456 CD GLU A 101 -11.813 -16.019 -5.899 1.00 0.00 C ATOM 1457 OE1 GLU A 101 -11.475 -15.949 -4.699 1.00 0.00 O ATOM 1458 OE2 GLU A 101 -12.999 -16.139 -6.270 1.00 0.00 O ATOM 0 H GLU A 101 -7.557 -15.472 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.290 -18.189 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.726 -17.959 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.848 -17.755 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.983 -15.216 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.162 -15.617 -7.898 1.00 0.00 H new ATOM 1465 N GLY A 102 -8.579 -17.433 -10.363 1.00 0.00 N ATOM 1466 CA GLY A 102 -8.784 -17.029 -11.741 1.00 0.00 C ATOM 1467 C GLY A 102 -7.484 -16.693 -12.446 1.00 0.00 C ATOM 1468 O GLY A 102 -6.894 -15.639 -12.205 1.00 0.00 O ATOM 0 H GLY A 102 -8.097 -18.324 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.290 -17.830 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.443 -16.161 -11.768 1.00 0.00 H new ATOM 1472 N ARG A 103 -7.035 -17.591 -13.316 1.00 0.00 N ATOM 1473 CA ARG A 103 -5.796 -17.386 -14.055 1.00 0.00 C ATOM 1474 C ARG A 103 -6.083 -17.033 -15.512 1.00 0.00 C ATOM 1475 O ARG A 103 -6.952 -17.630 -16.147 1.00 0.00 O ATOM 1476 CB ARG A 103 -4.922 -18.640 -13.986 1.00 0.00 C ATOM 1477 CG ARG A 103 -3.464 -18.386 -14.334 1.00 0.00 C ATOM 1478 CD ARG A 103 -2.791 -19.643 -14.862 1.00 0.00 C ATOM 1479 NE ARG A 103 -1.355 -19.457 -15.049 1.00 0.00 N ATOM 1480 CZ ARG A 103 -0.499 -19.288 -14.047 1.00 0.00 C ATOM 1481 NH1 ARG A 103 -0.932 -19.282 -12.794 1.00 0.00 N ATOM 1482 NH2 ARG A 103 0.794 -19.125 -14.298 1.00 0.00 N ATOM 0 H ARG A 103 -7.511 -18.468 -13.526 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.263 -16.554 -13.596 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.979 -19.058 -12.981 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.324 -19.391 -14.667 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.400 -17.596 -15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.934 -18.032 -13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.963 -20.465 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.246 -19.927 -15.811 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.989 -19.457 -16.001 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.925 -19.407 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.272 -19.152 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.131 -19.129 -15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.451 -18.995 -13.528 1.00 0.00 H new ATOM 1496 N VAL A 104 -5.348 -16.057 -16.035 1.00 0.00 N ATOM 1497 CA VAL A 104 -5.523 -15.624 -17.416 1.00 0.00 C ATOM 1498 C VAL A 104 -5.324 -16.784 -18.385 1.00 0.00 C ATOM 1499 O VAL A 104 -4.207 -17.267 -18.573 1.00 0.00 O ATOM 1500 CB VAL A 104 -4.542 -14.493 -17.779 1.00 0.00 C ATOM 1501 CG1 VAL A 104 -4.705 -14.091 -19.237 1.00 0.00 C ATOM 1502 CG2 VAL A 104 -4.745 -13.297 -16.861 1.00 0.00 C ATOM 0 H VAL A 104 -4.625 -15.551 -15.523 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.544 -15.252 -17.503 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.525 -14.860 -17.641 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.004 -13.291 -19.474 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.505 -14.951 -19.876 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.724 -13.743 -19.407 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.044 -12.508 -17.132 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.765 -12.928 -16.965 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.572 -13.598 -15.828 1.00 0.00 H new ATOM 1512 N LYS A 105 -6.416 -17.228 -18.999 1.00 0.00 N ATOM 1513 CA LYS A 105 -6.363 -18.331 -19.951 1.00 0.00 C ATOM 1514 C LYS A 105 -5.067 -18.296 -20.754 1.00 0.00 C ATOM 1515 O LYS A 105 -4.722 -17.275 -21.349 1.00 0.00 O ATOM 1516 CB LYS A 105 -7.564 -18.272 -20.898 1.00 0.00 C ATOM 1517 CG LYS A 105 -7.787 -19.556 -21.678 1.00 0.00 C ATOM 1518 CD LYS A 105 -9.230 -19.688 -22.134 1.00 0.00 C ATOM 1519 CE LYS A 105 -9.522 -18.791 -23.328 1.00 0.00 C ATOM 1520 NZ LYS A 105 -9.926 -17.421 -22.906 1.00 0.00 N ATOM 0 H LYS A 105 -7.348 -16.841 -18.854 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.396 -19.264 -19.389 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.461 -18.047 -20.321 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.423 -17.450 -21.600 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.127 -19.575 -22.545 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.521 -20.411 -21.057 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.436 -20.725 -22.398 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.898 -19.430 -21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.637 -18.730 -23.961 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.315 -19.234 -23.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.860 -17.196 -23.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.973 -17.377 -21.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.227 -16.732 -23.250 1.00 0.00 H new ATOM 1534 N SER A 106 -4.354 -19.417 -20.768 1.00 0.00 N ATOM 1535 CA SER A 106 -3.094 -19.513 -21.496 1.00 0.00 C ATOM 1536 C SER A 106 -3.328 -19.998 -22.924 1.00 0.00 C ATOM 1537 O SER A 106 -4.278 -20.731 -23.195 1.00 0.00 O ATOM 1538 CB SER A 106 -2.134 -20.461 -20.775 1.00 0.00 C ATOM 1539 OG SER A 106 -0.785 -20.146 -21.073 1.00 0.00 O ATOM 0 H SER A 106 -4.627 -20.272 -20.283 1.00 0.00 H new ATOM 0 HA SER A 106 -2.649 -18.519 -21.536 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.296 -20.398 -19.699 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.344 -21.489 -21.069 1.00 0.00 H new ATOM 0 HG SER A 106 -0.192 -20.765 -20.599 1.00 0.00 H new ATOM 1545 N GLY A 107 -2.453 -19.581 -23.835 1.00 0.00 N ATOM 1546 CA GLY A 107 -2.581 -19.981 -25.224 1.00 0.00 C ATOM 1547 C GLY A 107 -1.396 -19.546 -26.064 1.00 0.00 C ATOM 1548 O GLY A 107 -1.435 -18.522 -26.747 1.00 0.00 O ATOM 0 H GLY A 107 -1.658 -18.974 -23.635 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.683 -21.065 -25.279 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.494 -19.553 -25.639 1.00 0.00 H new ATOM 1552 N PRO A 108 -0.312 -20.334 -26.018 1.00 0.00 N ATOM 1553 CA PRO A 108 0.910 -20.044 -26.774 1.00 0.00 C ATOM 1554 C PRO A 108 0.720 -20.227 -28.276 1.00 0.00 C ATOM 1555 O PRO A 108 1.606 -19.904 -29.067 1.00 0.00 O ATOM 1556 CB PRO A 108 1.913 -21.067 -26.233 1.00 0.00 C ATOM 1557 CG PRO A 108 1.074 -22.193 -25.736 1.00 0.00 C ATOM 1558 CD PRO A 108 -0.196 -21.570 -25.225 1.00 0.00 C ATOM 0 HA PRO A 108 1.228 -19.009 -26.652 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.600 -21.399 -27.012 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.520 -20.642 -25.433 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.865 -22.906 -26.534 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.586 -22.741 -24.945 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.054 -22.226 -25.375 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.139 -21.359 -24.157 1.00 0.00 H new ATOM 1566 N SER A 109 -0.441 -20.747 -28.661 1.00 0.00 N ATOM 1567 CA SER A 109 -0.746 -20.975 -30.069 1.00 0.00 C ATOM 1568 C SER A 109 0.508 -21.382 -30.837 1.00 0.00 C ATOM 1569 O SER A 109 0.776 -20.871 -31.925 1.00 0.00 O ATOM 1570 CB SER A 109 -1.354 -19.717 -30.692 1.00 0.00 C ATOM 1571 OG SER A 109 -0.357 -18.744 -30.952 1.00 0.00 O ATOM 0 H SER A 109 -1.185 -21.018 -28.019 1.00 0.00 H new ATOM 0 HA SER A 109 -1.469 -21.788 -30.131 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.864 -19.977 -31.620 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.106 -19.302 -30.021 1.00 0.00 H new ATOM 0 HG SER A 109 0.225 -19.057 -31.675 1.00 0.00 H new ATOM 1577 N SER A 110 1.273 -22.305 -30.264 1.00 0.00 N ATOM 1578 CA SER A 110 2.501 -22.779 -30.891 1.00 0.00 C ATOM 1579 C SER A 110 2.290 -24.146 -31.535 1.00 0.00 C ATOM 1580 O SER A 110 2.571 -25.179 -30.929 1.00 0.00 O ATOM 1581 CB SER A 110 3.628 -22.856 -29.860 1.00 0.00 C ATOM 1582 OG SER A 110 4.895 -22.701 -30.477 1.00 0.00 O ATOM 0 H SER A 110 1.064 -22.740 -29.365 1.00 0.00 H new ATOM 0 HA SER A 110 2.779 -22.069 -31.670 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.490 -22.081 -29.107 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.587 -23.814 -29.342 1.00 0.00 H new ATOM 0 HG SER A 110 5.599 -22.752 -29.797 1.00 0.00 H new ATOM 1588 N GLY A 111 1.791 -24.142 -32.768 1.00 0.00 N ATOM 1589 CA GLY A 111 1.550 -25.387 -33.474 1.00 0.00 C ATOM 1590 C GLY A 111 0.085 -25.595 -33.799 1.00 0.00 C ATOM 1591 O GLY A 111 -0.345 -26.716 -34.071 1.00 0.00 O ATOM 0 H GLY A 111 1.550 -23.299 -33.290 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.129 -25.395 -34.398 1.00 0.00 H new ATOM 0 HA3 GLY A 111 1.906 -26.220 -32.868 1.00 0.00 H new TER 1595 GLY A 111