USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00437 K(o=-0.0044,f=-0.96) USER MOD Single : A 20 THR OG1 : rot -179:sc= -0.948 USER MOD Single : A 22 LYS NZ :NH3+ -110:sc= -1.02 (180deg=-3.04!) USER MOD Single : A 27 GLN : amide:sc= -0.0509 K(o=-0.051,f=-0.94) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.153 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -1.3 (180deg=-2.96!) USER MOD Single : A 37 GLN : amide:sc= 0.115 K(o=0.12,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.042) USER MOD Single : A 41 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-3.4!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 57 THR OG1 : rot 5:sc= 0.963! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.145 -17.986 -24.005 1.00 0.00 N ATOM 2 CA GLY A 1 10.066 -18.267 -22.919 1.00 0.00 C ATOM 3 C GLY A 1 9.472 -17.955 -21.560 1.00 0.00 C ATOM 4 O GLY A 1 8.475 -18.554 -21.158 1.00 0.00 O ATOM 0 H1 GLY A 1 9.598 -18.216 -24.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.287 -18.563 -23.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.889 -16.978 -23.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.354 -19.318 -22.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.975 -17.682 -23.058 1.00 0.00 H new ATOM 8 N SER A 2 10.087 -17.015 -20.849 1.00 0.00 N ATOM 9 CA SER A 2 9.616 -16.628 -19.524 1.00 0.00 C ATOM 10 C SER A 2 9.088 -15.196 -19.531 1.00 0.00 C ATOM 11 O SER A 2 9.689 -14.305 -20.131 1.00 0.00 O ATOM 12 CB SER A 2 10.744 -16.762 -18.499 1.00 0.00 C ATOM 13 OG SER A 2 11.259 -18.083 -18.478 1.00 0.00 O ATOM 0 H SER A 2 10.912 -16.508 -21.168 1.00 0.00 H new ATOM 0 HA SER A 2 8.801 -17.296 -19.246 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.543 -16.060 -18.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.373 -16.497 -17.509 1.00 0.00 H new ATOM 0 HG SER A 2 11.980 -18.143 -17.817 1.00 0.00 H new ATOM 19 N SER A 3 7.960 -14.985 -18.861 1.00 0.00 N ATOM 20 CA SER A 3 7.348 -13.663 -18.793 1.00 0.00 C ATOM 21 C SER A 3 6.617 -13.470 -17.468 1.00 0.00 C ATOM 22 O SER A 3 6.527 -14.391 -16.656 1.00 0.00 O ATOM 23 CB SER A 3 6.376 -13.467 -19.958 1.00 0.00 C ATOM 24 OG SER A 3 7.072 -13.297 -21.180 1.00 0.00 O ATOM 0 H SER A 3 7.451 -15.712 -18.358 1.00 0.00 H new ATOM 0 HA SER A 3 8.141 -12.919 -18.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.712 -14.329 -20.031 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.748 -12.596 -19.769 1.00 0.00 H new ATOM 0 HG SER A 3 6.428 -13.175 -21.909 1.00 0.00 H new ATOM 30 N GLY A 4 6.097 -12.265 -17.256 1.00 0.00 N ATOM 31 CA GLY A 4 5.381 -11.972 -16.028 1.00 0.00 C ATOM 32 C GLY A 4 6.099 -10.953 -15.166 1.00 0.00 C ATOM 33 O GLY A 4 7.110 -10.384 -15.579 1.00 0.00 O ATOM 0 H GLY A 4 6.159 -11.487 -17.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.386 -11.600 -16.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.247 -12.893 -15.461 1.00 0.00 H new ATOM 37 N SER A 5 5.577 -10.720 -13.967 1.00 0.00 N ATOM 38 CA SER A 5 6.172 -9.758 -13.047 1.00 0.00 C ATOM 39 C SER A 5 6.340 -10.367 -11.658 1.00 0.00 C ATOM 40 O SER A 5 5.383 -10.872 -11.070 1.00 0.00 O ATOM 41 CB SER A 5 5.308 -8.498 -12.963 1.00 0.00 C ATOM 42 OG SER A 5 5.198 -7.871 -14.229 1.00 0.00 O ATOM 0 H SER A 5 4.742 -11.185 -13.609 1.00 0.00 H new ATOM 0 HA SER A 5 7.157 -9.489 -13.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.316 -8.757 -12.595 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.743 -7.802 -12.245 1.00 0.00 H new ATOM 0 HG SER A 5 4.640 -7.069 -14.150 1.00 0.00 H new ATOM 48 N SER A 6 7.562 -10.315 -11.139 1.00 0.00 N ATOM 49 CA SER A 6 7.858 -10.864 -9.821 1.00 0.00 C ATOM 50 C SER A 6 6.757 -10.509 -8.826 1.00 0.00 C ATOM 51 O SER A 6 6.064 -11.386 -8.311 1.00 0.00 O ATOM 52 CB SER A 6 9.204 -10.341 -9.318 1.00 0.00 C ATOM 53 OG SER A 6 10.256 -10.714 -10.191 1.00 0.00 O ATOM 0 H SER A 6 8.364 -9.898 -11.611 1.00 0.00 H new ATOM 0 HA SER A 6 7.909 -11.949 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.166 -9.255 -9.232 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.400 -10.733 -8.320 1.00 0.00 H new ATOM 0 HG SER A 6 11.105 -10.366 -9.847 1.00 0.00 H new ATOM 59 N GLY A 7 6.603 -9.216 -8.559 1.00 0.00 N ATOM 60 CA GLY A 7 5.586 -8.767 -7.627 1.00 0.00 C ATOM 61 C GLY A 7 4.182 -9.084 -8.103 1.00 0.00 C ATOM 62 O GLY A 7 3.996 -9.619 -9.196 1.00 0.00 O ATOM 0 H GLY A 7 7.165 -8.471 -8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.753 -9.238 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.682 -7.691 -7.480 1.00 0.00 H new ATOM 66 N ARG A 8 3.191 -8.755 -7.280 1.00 0.00 N ATOM 67 CA ARG A 8 1.798 -9.011 -7.622 1.00 0.00 C ATOM 68 C ARG A 8 1.031 -7.703 -7.793 1.00 0.00 C ATOM 69 O ARG A 8 1.255 -6.726 -7.079 1.00 0.00 O ATOM 70 CB ARG A 8 1.134 -9.866 -6.541 1.00 0.00 C ATOM 71 CG ARG A 8 1.474 -11.344 -6.639 1.00 0.00 C ATOM 72 CD ARG A 8 0.926 -12.122 -5.453 1.00 0.00 C ATOM 73 NE ARG A 8 1.611 -11.779 -4.210 1.00 0.00 N ATOM 74 CZ ARG A 8 1.456 -12.453 -3.076 1.00 0.00 C ATOM 75 NH1 ARG A 8 0.645 -13.500 -3.028 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.115 -12.079 -1.986 1.00 0.00 N ATOM 0 H ARG A 8 3.328 -8.311 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 8 1.776 -9.552 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.436 -9.497 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.053 -9.745 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.065 -11.752 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.556 -11.467 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.140 -11.919 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.030 -13.191 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 8 2.243 -10.978 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.137 -13.791 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.528 -14.015 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.740 -11.274 -2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.996 -12.597 -1.115 1.00 0.00 H new ATOM 90 N PRO A 9 0.104 -7.683 -8.763 1.00 0.00 N ATOM 91 CA PRO A 9 -0.715 -6.501 -9.051 1.00 0.00 C ATOM 92 C PRO A 9 -1.724 -6.212 -7.945 1.00 0.00 C ATOM 93 O PRO A 9 -2.263 -7.131 -7.328 1.00 0.00 O ATOM 94 CB PRO A 9 -1.435 -6.877 -10.348 1.00 0.00 C ATOM 95 CG PRO A 9 -1.476 -8.366 -10.342 1.00 0.00 C ATOM 96 CD PRO A 9 -0.216 -8.812 -9.653 1.00 0.00 C ATOM 0 HA PRO A 9 -0.113 -5.596 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.439 -6.454 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.902 -6.499 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.358 -8.730 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.526 -8.759 -11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.369 -9.734 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.586 -9.002 -10.366 1.00 0.00 H new ATOM 104 N ALA A 10 -1.976 -4.931 -7.701 1.00 0.00 N ATOM 105 CA ALA A 10 -2.923 -4.521 -6.671 1.00 0.00 C ATOM 106 C ALA A 10 -3.466 -3.123 -6.949 1.00 0.00 C ATOM 107 O ALA A 10 -2.713 -2.213 -7.295 1.00 0.00 O ATOM 108 CB ALA A 10 -2.266 -4.571 -5.300 1.00 0.00 C ATOM 0 H ALA A 10 -1.538 -4.158 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.761 -5.217 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.985 -4.262 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.933 -5.588 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.408 -3.898 -5.283 1.00 0.00 H new ATOM 114 N ARG A 11 -4.776 -2.961 -6.796 1.00 0.00 N ATOM 115 CA ARG A 11 -5.419 -1.675 -7.032 1.00 0.00 C ATOM 116 C ARG A 11 -5.779 -0.996 -5.714 1.00 0.00 C ATOM 117 O ARG A 11 -6.344 -1.621 -4.817 1.00 0.00 O ATOM 118 CB ARG A 11 -6.677 -1.858 -7.884 1.00 0.00 C ATOM 119 CG ARG A 11 -7.135 -0.585 -8.575 1.00 0.00 C ATOM 120 CD ARG A 11 -8.324 -0.843 -9.488 1.00 0.00 C ATOM 121 NE ARG A 11 -9.595 -0.723 -8.778 1.00 0.00 N ATOM 122 CZ ARG A 11 -10.147 -1.714 -8.087 1.00 0.00 C ATOM 123 NH1 ARG A 11 -9.543 -2.892 -8.012 1.00 0.00 N ATOM 124 NH2 ARG A 11 -11.306 -1.528 -7.468 1.00 0.00 N ATOM 0 H ARG A 11 -5.413 -3.705 -6.510 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.715 -1.039 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.487 -2.622 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.484 -2.228 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.405 0.160 -7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.312 -0.169 -9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.304 -0.136 -10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.241 -1.841 -9.918 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.085 0.171 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.652 -3.039 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.970 -3.651 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.774 -0.623 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.729 -2.290 -6.938 1.00 0.00 H new ATOM 138 N ALA A 12 -5.448 0.286 -5.605 1.00 0.00 N ATOM 139 CA ALA A 12 -5.738 1.050 -4.397 1.00 0.00 C ATOM 140 C ALA A 12 -7.227 1.359 -4.287 1.00 0.00 C ATOM 141 O ALA A 12 -7.771 2.132 -5.077 1.00 0.00 O ATOM 142 CB ALA A 12 -4.926 2.337 -4.379 1.00 0.00 C ATOM 0 H ALA A 12 -4.979 0.818 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.456 0.444 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.152 2.897 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.863 2.097 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.180 2.940 -5.251 1.00 0.00 H new ATOM 148 N LYS A 13 -7.881 0.752 -3.304 1.00 0.00 N ATOM 149 CA LYS A 13 -9.308 0.963 -3.089 1.00 0.00 C ATOM 150 C LYS A 13 -9.572 2.344 -2.500 1.00 0.00 C ATOM 151 O LYS A 13 -10.567 2.991 -2.827 1.00 0.00 O ATOM 152 CB LYS A 13 -9.870 -0.116 -2.160 1.00 0.00 C ATOM 153 CG LYS A 13 -10.045 -1.467 -2.831 1.00 0.00 C ATOM 154 CD LYS A 13 -11.183 -2.257 -2.206 1.00 0.00 C ATOM 155 CE LYS A 13 -10.796 -2.809 -0.843 1.00 0.00 C ATOM 156 NZ LYS A 13 -11.822 -3.748 -0.313 1.00 0.00 N ATOM 0 H LYS A 13 -7.446 0.109 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.808 0.899 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.205 -0.229 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.834 0.216 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.241 -1.324 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.119 -2.036 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.059 -1.617 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.463 -3.078 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.838 -3.323 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.662 -1.985 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.521 -4.102 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.731 -3.251 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.932 -4.548 -0.969 1.00 0.00 H new ATOM 170 N PHE A 14 -8.673 2.793 -1.629 1.00 0.00 N ATOM 171 CA PHE A 14 -8.808 4.099 -0.995 1.00 0.00 C ATOM 172 C PHE A 14 -7.472 4.836 -0.978 1.00 0.00 C ATOM 173 O PHE A 14 -6.417 4.235 -1.180 1.00 0.00 O ATOM 174 CB PHE A 14 -9.336 3.943 0.433 1.00 0.00 C ATOM 175 CG PHE A 14 -10.306 2.808 0.593 1.00 0.00 C ATOM 176 CD1 PHE A 14 -9.854 1.524 0.850 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.670 3.024 0.486 1.00 0.00 C ATOM 178 CE1 PHE A 14 -10.743 0.476 0.998 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.565 1.981 0.633 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.101 0.705 0.889 1.00 0.00 C ATOM 0 H PHE A 14 -7.843 2.271 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.519 4.686 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.494 3.789 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.822 4.871 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.793 1.339 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.039 4.019 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.377 -0.520 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.626 2.163 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.798 -0.112 1.004 1.00 0.00 H new ATOM 190 N ASP A 15 -7.527 6.141 -0.735 1.00 0.00 N ATOM 191 CA ASP A 15 -6.322 6.962 -0.691 1.00 0.00 C ATOM 192 C ASP A 15 -5.566 6.747 0.616 1.00 0.00 C ATOM 193 O ASP A 15 -6.071 7.057 1.696 1.00 0.00 O ATOM 194 CB ASP A 15 -6.680 8.440 -0.850 1.00 0.00 C ATOM 195 CG ASP A 15 -7.543 8.952 0.286 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.460 8.219 0.712 1.00 0.00 O ATOM 197 OD2 ASP A 15 -7.303 10.087 0.749 1.00 0.00 O ATOM 0 H ASP A 15 -8.393 6.653 -0.566 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.677 6.662 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.764 9.029 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.205 8.584 -1.794 1.00 0.00 H new ATOM 202 N PHE A 16 -4.354 6.212 0.512 1.00 0.00 N ATOM 203 CA PHE A 16 -3.529 5.954 1.686 1.00 0.00 C ATOM 204 C PHE A 16 -2.394 6.969 1.788 1.00 0.00 C ATOM 205 O PHE A 16 -1.486 6.989 0.957 1.00 0.00 O ATOM 206 CB PHE A 16 -2.956 4.536 1.630 1.00 0.00 C ATOM 207 CG PHE A 16 -2.156 4.164 2.846 1.00 0.00 C ATOM 208 CD1 PHE A 16 -2.704 4.279 4.114 1.00 0.00 C ATOM 209 CD2 PHE A 16 -0.856 3.701 2.722 1.00 0.00 C ATOM 210 CE1 PHE A 16 -1.972 3.937 5.235 1.00 0.00 C ATOM 211 CE2 PHE A 16 -0.119 3.358 3.840 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.677 3.477 5.098 1.00 0.00 C ATOM 0 H PHE A 16 -3.921 5.949 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.159 6.050 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.775 3.826 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.324 4.443 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.715 4.640 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.414 3.607 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.412 4.029 6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.893 2.997 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.102 3.211 5.973 1.00 0.00 H new ATOM 222 N LYS A 17 -2.454 7.813 2.813 1.00 0.00 N ATOM 223 CA LYS A 17 -1.433 8.831 3.026 1.00 0.00 C ATOM 224 C LYS A 17 -0.318 8.304 3.923 1.00 0.00 C ATOM 225 O LYS A 17 -0.544 7.990 5.092 1.00 0.00 O ATOM 226 CB LYS A 17 -2.055 10.083 3.650 1.00 0.00 C ATOM 227 CG LYS A 17 -1.139 11.295 3.623 1.00 0.00 C ATOM 228 CD LYS A 17 -1.122 11.951 2.253 1.00 0.00 C ATOM 229 CE LYS A 17 -0.430 13.305 2.292 1.00 0.00 C ATOM 230 NZ LYS A 17 1.052 13.170 2.348 1.00 0.00 N ATOM 0 H LYS A 17 -3.200 7.812 3.509 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.005 9.089 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.977 10.323 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.328 9.867 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.469 12.018 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.128 10.994 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.611 11.300 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.144 12.074 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.709 13.881 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.777 13.865 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.486 14.115 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.320 12.643 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.386 12.658 1.507 1.00 0.00 H new ATOM 244 N ALA A 18 0.887 8.211 3.369 1.00 0.00 N ATOM 245 CA ALA A 18 2.038 7.726 4.121 1.00 0.00 C ATOM 246 C ALA A 18 2.510 8.764 5.133 1.00 0.00 C ATOM 247 O ALA A 18 3.053 9.804 4.761 1.00 0.00 O ATOM 248 CB ALA A 18 3.169 7.357 3.173 1.00 0.00 C ATOM 0 H ALA A 18 1.091 8.465 2.402 1.00 0.00 H new ATOM 0 HA ALA A 18 1.733 6.835 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.022 6.996 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.833 6.575 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.463 8.235 2.599 1.00 0.00 H new ATOM 254 N GLN A 19 2.299 8.475 6.413 1.00 0.00 N ATOM 255 CA GLN A 19 2.703 9.385 7.478 1.00 0.00 C ATOM 256 C GLN A 19 4.222 9.443 7.598 1.00 0.00 C ATOM 257 O GLN A 19 4.786 10.457 8.012 1.00 0.00 O ATOM 258 CB GLN A 19 2.091 8.949 8.810 1.00 0.00 C ATOM 259 CG GLN A 19 2.245 7.463 9.093 1.00 0.00 C ATOM 260 CD GLN A 19 1.996 7.117 10.548 1.00 0.00 C ATOM 261 OE1 GLN A 19 1.545 7.955 11.329 1.00 0.00 O ATOM 262 NE2 GLN A 19 2.290 5.877 10.920 1.00 0.00 N ATOM 0 H GLN A 19 1.851 7.618 6.738 1.00 0.00 H new ATOM 0 HA GLN A 19 2.338 10.381 7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.557 9.514 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.031 9.203 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.550 6.904 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.250 7.146 8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.662 5.215 10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.144 5.586 11.887 1.00 0.00 H new ATOM 271 N THR A 20 4.882 8.348 7.233 1.00 0.00 N ATOM 272 CA THR A 20 6.336 8.273 7.301 1.00 0.00 C ATOM 273 C THR A 20 6.905 7.519 6.105 1.00 0.00 C ATOM 274 O THR A 20 6.227 6.681 5.507 1.00 0.00 O ATOM 275 CB THR A 20 6.803 7.584 8.597 1.00 0.00 C ATOM 276 OG1 THR A 20 6.688 6.163 8.465 1.00 0.00 O ATOM 277 CG2 THR A 20 5.982 8.056 9.787 1.00 0.00 C ATOM 0 H THR A 20 4.432 7.501 6.887 1.00 0.00 H new ATOM 0 HA THR A 20 6.706 9.298 7.289 1.00 0.00 H new ATOM 0 HB THR A 20 7.846 7.849 8.768 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.973 5.733 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.330 7.556 10.691 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.095 9.134 9.903 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.931 7.817 9.622 1.00 0.00 H new ATOM 285 N LEU A 21 8.152 7.819 5.760 1.00 0.00 N ATOM 286 CA LEU A 21 8.812 7.168 4.634 1.00 0.00 C ATOM 287 C LEU A 21 8.606 5.658 4.681 1.00 0.00 C ATOM 288 O LEU A 21 8.482 5.004 3.645 1.00 0.00 O ATOM 289 CB LEU A 21 10.307 7.491 4.638 1.00 0.00 C ATOM 290 CG LEU A 21 10.693 8.893 4.165 1.00 0.00 C ATOM 291 CD1 LEU A 21 12.007 9.327 4.795 1.00 0.00 C ATOM 292 CD2 LEU A 21 10.788 8.935 2.646 1.00 0.00 C ATOM 0 H LEU A 21 8.727 8.509 6.244 1.00 0.00 H new ATOM 0 HA LEU A 21 8.367 7.548 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.685 7.354 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.817 6.763 4.007 1.00 0.00 H new ATOM 0 HG LEU A 21 9.916 9.589 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.265 10.327 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.905 9.336 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.795 8.629 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.064 9.940 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.545 8.227 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.824 8.668 2.214 1.00 0.00 H new ATOM 304 N LYS A 22 8.569 5.109 5.890 1.00 0.00 N ATOM 305 CA LYS A 22 8.374 3.675 6.075 1.00 0.00 C ATOM 306 C LYS A 22 7.180 3.180 5.265 1.00 0.00 C ATOM 307 O LYS A 22 7.219 2.095 4.687 1.00 0.00 O ATOM 308 CB LYS A 22 8.168 3.354 7.557 1.00 0.00 C ATOM 309 CG LYS A 22 9.462 3.088 8.307 1.00 0.00 C ATOM 310 CD LYS A 22 10.008 1.703 8.004 1.00 0.00 C ATOM 311 CE LYS A 22 9.238 0.624 8.750 1.00 0.00 C ATOM 312 NZ LYS A 22 8.045 0.165 7.987 1.00 0.00 N ATOM 0 H LYS A 22 8.672 5.635 6.758 1.00 0.00 H new ATOM 0 HA LYS A 22 9.269 3.163 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.647 4.186 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.521 2.481 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.203 3.840 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.289 3.185 9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.952 1.516 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.061 1.657 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.895 -0.224 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.923 1.008 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.181 0.491 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.077 0.557 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.043 -0.874 7.938 1.00 0.00 H new ATOM 326 N GLU A 23 6.122 3.983 5.228 1.00 0.00 N ATOM 327 CA GLU A 23 4.917 3.625 4.489 1.00 0.00 C ATOM 328 C GLU A 23 4.926 4.253 3.098 1.00 0.00 C ATOM 329 O GLU A 23 5.631 5.232 2.851 1.00 0.00 O ATOM 330 CB GLU A 23 3.670 4.072 5.254 1.00 0.00 C ATOM 331 CG GLU A 23 3.180 3.052 6.269 1.00 0.00 C ATOM 332 CD GLU A 23 2.333 3.676 7.360 1.00 0.00 C ATOM 333 OE1 GLU A 23 1.687 4.711 7.091 1.00 0.00 O ATOM 334 OE2 GLU A 23 2.314 3.130 8.483 1.00 0.00 O ATOM 0 H GLU A 23 6.075 4.886 5.701 1.00 0.00 H new ATOM 0 HA GLU A 23 4.897 2.541 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.886 5.009 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.871 4.276 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.599 2.285 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.038 2.553 6.720 1.00 0.00 H new ATOM 341 N LEU A 24 4.138 3.683 2.193 1.00 0.00 N ATOM 342 CA LEU A 24 4.054 4.185 0.826 1.00 0.00 C ATOM 343 C LEU A 24 2.648 4.688 0.516 1.00 0.00 C ATOM 344 O LEU A 24 1.651 4.011 0.766 1.00 0.00 O ATOM 345 CB LEU A 24 4.446 3.088 -0.166 1.00 0.00 C ATOM 346 CG LEU A 24 4.416 3.479 -1.644 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.765 4.033 -2.077 1.00 0.00 C ATOM 348 CD2 LEU A 24 4.028 2.285 -2.503 1.00 0.00 C ATOM 0 H LEU A 24 3.548 2.873 2.381 1.00 0.00 H new ATOM 0 HA LEU A 24 4.748 5.020 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.452 2.747 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.778 2.239 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 24 3.666 4.258 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.725 4.306 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.004 4.915 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.534 3.276 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.012 2.581 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.755 1.485 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.039 1.932 -2.210 1.00 0.00 H new ATOM 360 N PRO A 25 2.565 5.904 -0.044 1.00 0.00 N ATOM 361 CA PRO A 25 1.286 6.524 -0.403 1.00 0.00 C ATOM 362 C PRO A 25 0.615 5.828 -1.582 1.00 0.00 C ATOM 363 O PRO A 25 1.283 5.392 -2.521 1.00 0.00 O ATOM 364 CB PRO A 25 1.679 7.955 -0.780 1.00 0.00 C ATOM 365 CG PRO A 25 3.103 7.856 -1.209 1.00 0.00 C ATOM 366 CD PRO A 25 3.713 6.767 -0.370 1.00 0.00 C ATOM 0 HA PRO A 25 0.563 6.466 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.050 8.340 -1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.567 8.633 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.175 7.618 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.623 8.802 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.483 6.222 -0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.183 7.167 0.528 1.00 0.00 H new ATOM 374 N LEU A 26 -0.708 5.726 -1.528 1.00 0.00 N ATOM 375 CA LEU A 26 -1.471 5.083 -2.592 1.00 0.00 C ATOM 376 C LEU A 26 -2.708 5.901 -2.947 1.00 0.00 C ATOM 377 O LEU A 26 -3.482 6.286 -2.071 1.00 0.00 O ATOM 378 CB LEU A 26 -1.883 3.672 -2.169 1.00 0.00 C ATOM 379 CG LEU A 26 -0.741 2.706 -1.852 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.289 1.375 -1.361 1.00 0.00 C ATOM 381 CD2 LEU A 26 0.141 2.502 -3.076 1.00 0.00 C ATOM 0 H LEU A 26 -1.275 6.081 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.835 5.020 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.521 3.750 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.489 3.238 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.133 3.141 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.462 0.700 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.878 1.535 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.921 0.935 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.948 1.812 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.456 2.089 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.563 3.459 -3.384 1.00 0.00 H new ATOM 393 N GLN A 27 -2.888 6.162 -4.238 1.00 0.00 N ATOM 394 CA GLN A 27 -4.032 6.934 -4.708 1.00 0.00 C ATOM 395 C GLN A 27 -5.113 6.016 -5.271 1.00 0.00 C ATOM 396 O GLN A 27 -4.815 5.014 -5.920 1.00 0.00 O ATOM 397 CB GLN A 27 -3.593 7.938 -5.775 1.00 0.00 C ATOM 398 CG GLN A 27 -4.747 8.518 -6.577 1.00 0.00 C ATOM 399 CD GLN A 27 -4.377 9.806 -7.285 1.00 0.00 C ATOM 400 OE1 GLN A 27 -3.627 10.626 -6.755 1.00 0.00 O ATOM 401 NE2 GLN A 27 -4.902 9.992 -8.490 1.00 0.00 N ATOM 0 H GLN A 27 -2.257 5.850 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.447 7.476 -3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.050 8.752 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.897 7.450 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.077 7.785 -7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.590 8.703 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.519 9.286 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.688 10.841 -9.014 1.00 0.00 H new ATOM 410 N LYS A 28 -6.370 6.366 -5.017 1.00 0.00 N ATOM 411 CA LYS A 28 -7.496 5.575 -5.498 1.00 0.00 C ATOM 412 C LYS A 28 -7.272 5.130 -6.940 1.00 0.00 C ATOM 413 O LYS A 28 -6.885 5.928 -7.793 1.00 0.00 O ATOM 414 CB LYS A 28 -8.792 6.383 -5.398 1.00 0.00 C ATOM 415 CG LYS A 28 -10.024 5.614 -5.844 1.00 0.00 C ATOM 416 CD LYS A 28 -11.294 6.420 -5.625 1.00 0.00 C ATOM 417 CE LYS A 28 -12.491 5.767 -6.299 1.00 0.00 C ATOM 418 NZ LYS A 28 -13.746 6.534 -6.065 1.00 0.00 N ATOM 0 H LYS A 28 -6.634 7.192 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.579 4.687 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.930 6.707 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.697 7.284 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.932 5.358 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.088 4.676 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.485 6.517 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.159 7.428 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.307 5.690 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.611 4.751 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.538 6.057 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.936 6.586 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.642 7.496 -6.447 1.00 0.00 H new ATOM 432 N GLY A 29 -7.520 3.851 -7.205 1.00 0.00 N ATOM 433 CA GLY A 29 -7.341 3.323 -8.545 1.00 0.00 C ATOM 434 C GLY A 29 -5.898 3.387 -9.006 1.00 0.00 C ATOM 435 O GLY A 29 -5.615 3.820 -10.123 1.00 0.00 O ATOM 0 H GLY A 29 -7.842 3.171 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.682 2.288 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.966 3.884 -9.240 1.00 0.00 H new ATOM 439 N ASP A 30 -4.984 2.957 -8.143 1.00 0.00 N ATOM 440 CA ASP A 30 -3.562 2.968 -8.467 1.00 0.00 C ATOM 441 C ASP A 30 -3.026 1.546 -8.606 1.00 0.00 C ATOM 442 O ASP A 30 -3.260 0.697 -7.745 1.00 0.00 O ATOM 443 CB ASP A 30 -2.778 3.719 -7.390 1.00 0.00 C ATOM 444 CG ASP A 30 -2.724 5.212 -7.649 1.00 0.00 C ATOM 445 OD1 ASP A 30 -3.760 5.782 -8.052 1.00 0.00 O ATOM 446 OD2 ASP A 30 -1.647 5.810 -7.447 1.00 0.00 O ATOM 0 H ASP A 30 -5.202 2.597 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.435 3.480 -9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.237 3.538 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.763 3.324 -7.342 1.00 0.00 H new ATOM 451 N ILE A 31 -2.307 1.295 -9.694 1.00 0.00 N ATOM 452 CA ILE A 31 -1.738 -0.023 -9.945 1.00 0.00 C ATOM 453 C ILE A 31 -0.339 -0.141 -9.348 1.00 0.00 C ATOM 454 O ILE A 31 0.590 0.544 -9.776 1.00 0.00 O ATOM 455 CB ILE A 31 -1.667 -0.328 -11.453 1.00 0.00 C ATOM 456 CG1 ILE A 31 -3.059 -0.229 -12.082 1.00 0.00 C ATOM 457 CG2 ILE A 31 -1.071 -1.709 -11.687 1.00 0.00 C ATOM 458 CD1 ILE A 31 -4.068 -1.174 -11.467 1.00 0.00 C ATOM 0 H ILE A 31 -2.105 1.987 -10.416 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.397 -0.747 -9.467 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.021 0.410 -11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.423 0.794 -11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.982 -0.436 -13.149 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.027 -1.910 -12.757 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.065 -1.747 -11.270 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.693 -2.461 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.031 -1.050 -11.961 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.727 -2.202 -11.591 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.174 -0.952 -10.405 1.00 0.00 H new ATOM 470 N VAL A 32 -0.196 -1.016 -8.358 1.00 0.00 N ATOM 471 CA VAL A 32 1.089 -1.227 -7.704 1.00 0.00 C ATOM 472 C VAL A 32 1.500 -2.694 -7.758 1.00 0.00 C ATOM 473 O VAL A 32 0.687 -3.566 -8.067 1.00 0.00 O ATOM 474 CB VAL A 32 1.052 -0.770 -6.233 1.00 0.00 C ATOM 475 CG1 VAL A 32 0.664 0.698 -6.140 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.093 -1.636 -5.430 1.00 0.00 C ATOM 0 H VAL A 32 -0.955 -1.590 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 32 1.821 -0.628 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 32 2.050 -0.885 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.643 1.003 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.393 1.302 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.323 0.842 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.079 -1.299 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.909 -1.555 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.421 -2.675 -5.470 1.00 0.00 H new ATOM 486 N TYR A 33 2.766 -2.960 -7.455 1.00 0.00 N ATOM 487 CA TYR A 33 3.285 -4.322 -7.471 1.00 0.00 C ATOM 488 C TYR A 33 3.885 -4.692 -6.118 1.00 0.00 C ATOM 489 O TYR A 33 4.820 -4.047 -5.644 1.00 0.00 O ATOM 490 CB TYR A 33 4.341 -4.475 -8.568 1.00 0.00 C ATOM 491 CG TYR A 33 3.760 -4.807 -9.924 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.382 -6.106 -10.241 1.00 0.00 C ATOM 493 CD2 TYR A 33 3.590 -3.821 -10.889 1.00 0.00 C ATOM 494 CE1 TYR A 33 2.852 -6.414 -11.479 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.060 -4.120 -12.129 1.00 0.00 C ATOM 496 CZ TYR A 33 2.693 -5.417 -12.419 1.00 0.00 C ATOM 497 OH TYR A 33 2.164 -5.720 -13.653 1.00 0.00 O ATOM 0 H TYR A 33 3.451 -2.250 -7.195 1.00 0.00 H new ATOM 0 HA TYR A 33 2.455 -4.998 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.912 -3.549 -8.643 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.041 -5.259 -8.280 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.505 -6.888 -9.507 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.877 -2.804 -10.665 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.564 -7.429 -11.709 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.934 -3.342 -12.867 1.00 0.00 H new ATOM 0 HH TYR A 33 2.117 -4.907 -14.198 1.00 0.00 H new ATOM 507 N ILE A 34 3.340 -5.736 -5.503 1.00 0.00 N ATOM 508 CA ILE A 34 3.822 -6.195 -4.205 1.00 0.00 C ATOM 509 C ILE A 34 4.982 -7.171 -4.363 1.00 0.00 C ATOM 510 O ILE A 34 4.814 -8.270 -4.893 1.00 0.00 O ATOM 511 CB ILE A 34 2.700 -6.873 -3.396 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.580 -5.874 -3.100 1.00 0.00 C ATOM 513 CG2 ILE A 34 3.256 -7.453 -2.104 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.230 -6.525 -2.891 1.00 0.00 C ATOM 0 H ILE A 34 2.565 -6.280 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 34 4.165 -5.312 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 34 2.286 -7.689 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.840 -5.302 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.509 -5.165 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.452 -7.929 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.022 -8.192 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.693 -6.654 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.516 -5.757 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.052 -7.074 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.285 -7.213 -2.047 1.00 0.00 H new ATOM 526 N TYR A 35 6.158 -6.765 -3.899 1.00 0.00 N ATOM 527 CA TYR A 35 7.347 -7.603 -3.989 1.00 0.00 C ATOM 528 C TYR A 35 7.404 -8.593 -2.829 1.00 0.00 C ATOM 529 O TYR A 35 7.821 -9.740 -2.995 1.00 0.00 O ATOM 530 CB TYR A 35 8.608 -6.738 -3.997 1.00 0.00 C ATOM 531 CG TYR A 35 8.625 -5.705 -5.101 1.00 0.00 C ATOM 532 CD1 TYR A 35 8.449 -6.074 -6.429 1.00 0.00 C ATOM 533 CD2 TYR A 35 8.817 -4.358 -4.816 1.00 0.00 C ATOM 534 CE1 TYR A 35 8.465 -5.134 -7.441 1.00 0.00 C ATOM 535 CE2 TYR A 35 8.834 -3.411 -5.821 1.00 0.00 C ATOM 536 CZ TYR A 35 8.658 -3.803 -7.132 1.00 0.00 C ATOM 537 OH TYR A 35 8.673 -2.863 -8.137 1.00 0.00 O ATOM 0 H TYR A 35 6.313 -5.859 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 35 7.294 -8.165 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.698 -6.232 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.481 -7.383 -4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.297 -7.115 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.955 -4.047 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.327 -5.439 -8.468 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.984 -2.369 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 35 8.097 -3.161 -8.872 1.00 0.00 H new ATOM 547 N LYS A 36 6.981 -8.142 -1.653 1.00 0.00 N ATOM 548 CA LYS A 36 6.981 -8.986 -0.464 1.00 0.00 C ATOM 549 C LYS A 36 5.838 -8.608 0.472 1.00 0.00 C ATOM 550 O LYS A 36 5.162 -7.601 0.263 1.00 0.00 O ATOM 551 CB LYS A 36 8.318 -8.866 0.272 1.00 0.00 C ATOM 552 CG LYS A 36 8.476 -7.563 1.036 1.00 0.00 C ATOM 553 CD LYS A 36 9.607 -7.644 2.048 1.00 0.00 C ATOM 554 CE LYS A 36 9.153 -8.308 3.339 1.00 0.00 C ATOM 555 NZ LYS A 36 9.093 -9.790 3.208 1.00 0.00 N ATOM 0 H LYS A 36 6.633 -7.196 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 36 6.840 -10.019 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.417 -9.700 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.130 -8.955 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.671 -6.751 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.544 -7.325 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.439 -8.205 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.976 -6.641 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.837 -8.042 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.170 -7.928 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.352 -10.229 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.128 -10.077 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.757 -10.100 2.470 1.00 0.00 H new ATOM 569 N GLN A 37 5.629 -9.421 1.502 1.00 0.00 N ATOM 570 CA GLN A 37 4.567 -9.169 2.470 1.00 0.00 C ATOM 571 C GLN A 37 5.141 -8.968 3.868 1.00 0.00 C ATOM 572 O GLN A 37 5.814 -9.848 4.406 1.00 0.00 O ATOM 573 CB GLN A 37 3.570 -10.329 2.477 1.00 0.00 C ATOM 574 CG GLN A 37 2.480 -10.188 3.527 1.00 0.00 C ATOM 575 CD GLN A 37 1.443 -11.291 3.445 1.00 0.00 C ATOM 576 OE1 GLN A 37 1.561 -12.210 2.633 1.00 0.00 O ATOM 577 NE2 GLN A 37 0.420 -11.207 4.287 1.00 0.00 N ATOM 0 H GLN A 37 6.180 -10.259 1.688 1.00 0.00 H new ATOM 0 HA GLN A 37 4.050 -8.256 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.107 -10.405 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.110 -11.260 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.933 -10.194 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.988 -9.223 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.362 -10.428 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.308 -11.921 4.278 1.00 0.00 H new ATOM 586 N ILE A 38 4.872 -7.805 4.451 1.00 0.00 N ATOM 587 CA ILE A 38 5.362 -7.489 5.787 1.00 0.00 C ATOM 588 C ILE A 38 4.590 -8.260 6.852 1.00 0.00 C ATOM 589 O ILE A 38 5.176 -8.987 7.654 1.00 0.00 O ATOM 590 CB ILE A 38 5.256 -5.981 6.083 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.787 -5.168 4.901 1.00 0.00 C ATOM 592 CG2 ILE A 38 6.018 -5.636 7.354 1.00 0.00 C ATOM 593 CD1 ILE A 38 7.283 -4.947 4.942 1.00 0.00 C ATOM 0 H ILE A 38 4.317 -7.066 4.019 1.00 0.00 H new ATOM 0 HA ILE A 38 6.411 -7.784 5.817 1.00 0.00 H new ATOM 0 HB ILE A 38 4.206 -5.728 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.529 -5.679 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.285 -4.200 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.934 -4.567 7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.599 -6.193 8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.068 -5.901 7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.589 -4.364 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.546 -4.408 5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.794 -5.910 4.930 1.00 0.00 H new ATOM 605 N ASP A 39 3.271 -8.098 6.853 1.00 0.00 N ATOM 606 CA ASP A 39 2.417 -8.781 7.818 1.00 0.00 C ATOM 607 C ASP A 39 1.127 -9.259 7.159 1.00 0.00 C ATOM 608 O ASP A 39 0.858 -8.943 6.000 1.00 0.00 O ATOM 609 CB ASP A 39 2.093 -7.854 8.990 1.00 0.00 C ATOM 610 CG ASP A 39 1.599 -8.611 10.207 1.00 0.00 C ATOM 611 OD1 ASP A 39 2.319 -9.519 10.673 1.00 0.00 O ATOM 612 OD2 ASP A 39 0.492 -8.297 10.694 1.00 0.00 O ATOM 0 H ASP A 39 2.770 -7.500 6.196 1.00 0.00 H new ATOM 0 HA ASP A 39 2.957 -9.651 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.984 -7.285 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.335 -7.134 8.681 1.00 0.00 H new ATOM 617 N GLN A 40 0.335 -10.021 7.905 1.00 0.00 N ATOM 618 CA GLN A 40 -0.926 -10.544 7.392 1.00 0.00 C ATOM 619 C GLN A 40 -1.909 -9.413 7.109 1.00 0.00 C ATOM 620 O GLN A 40 -2.991 -9.638 6.567 1.00 0.00 O ATOM 621 CB GLN A 40 -1.538 -11.529 8.389 1.00 0.00 C ATOM 622 CG GLN A 40 -0.870 -12.895 8.383 1.00 0.00 C ATOM 623 CD GLN A 40 -1.215 -13.708 7.151 1.00 0.00 C ATOM 624 OE1 GLN A 40 -2.285 -14.313 7.071 1.00 0.00 O ATOM 625 NE2 GLN A 40 -0.308 -13.726 6.180 1.00 0.00 N ATOM 0 H GLN A 40 0.544 -10.290 8.866 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.720 -11.065 6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.473 -11.106 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.597 -11.651 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.211 -12.767 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.171 -13.446 9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.565 -13.210 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.485 -14.256 5.326 1.00 0.00 H new ATOM 634 N ASN A 41 -1.526 -8.195 7.480 1.00 0.00 N ATOM 635 CA ASN A 41 -2.374 -7.028 7.266 1.00 0.00 C ATOM 636 C ASN A 41 -1.587 -5.895 6.616 1.00 0.00 C ATOM 637 O ASN A 41 -2.050 -4.755 6.563 1.00 0.00 O ATOM 638 CB ASN A 41 -2.969 -6.555 8.594 1.00 0.00 C ATOM 639 CG ASN A 41 -4.259 -7.274 8.939 1.00 0.00 C ATOM 640 OD1 ASN A 41 -4.904 -7.864 8.073 1.00 0.00 O ATOM 641 ND2 ASN A 41 -4.640 -7.228 10.210 1.00 0.00 N ATOM 0 H ASN A 41 -0.634 -7.991 7.930 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.183 -7.315 6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.243 -6.714 9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.157 -5.482 8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.499 -7.694 10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.074 -6.727 10.894 1.00 0.00 H new ATOM 648 N TRP A 42 -0.397 -6.216 6.122 1.00 0.00 N ATOM 649 CA TRP A 42 0.455 -5.225 5.475 1.00 0.00 C ATOM 650 C TRP A 42 1.101 -5.800 4.219 1.00 0.00 C ATOM 651 O TRP A 42 1.074 -7.010 3.994 1.00 0.00 O ATOM 652 CB TRP A 42 1.535 -4.740 6.443 1.00 0.00 C ATOM 653 CG TRP A 42 1.008 -3.837 7.517 1.00 0.00 C ATOM 654 CD1 TRP A 42 0.585 -4.204 8.762 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.846 -2.416 7.438 1.00 0.00 C ATOM 656 NE1 TRP A 42 0.170 -3.097 9.463 1.00 0.00 N ATOM 657 CE2 TRP A 42 0.321 -1.988 8.673 1.00 0.00 C ATOM 658 CE3 TRP A 42 1.096 -1.464 6.447 1.00 0.00 C ATOM 659 CZ2 TRP A 42 0.041 -0.650 8.939 1.00 0.00 C ATOM 660 CZ3 TRP A 42 0.817 -0.137 6.712 1.00 0.00 C ATOM 661 CH2 TRP A 42 0.295 0.260 7.950 1.00 0.00 C ATOM 0 H TRP A 42 0.000 -7.155 6.157 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.169 -4.379 5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.012 -5.604 6.906 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.306 -4.213 5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.578 -5.215 9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.192 -3.101 10.417 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.500 -1.760 5.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.362 -0.342 9.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.005 0.607 5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.089 1.305 8.127 1.00 0.00 H new ATOM 672 N TYR A 43 1.682 -4.926 3.405 1.00 0.00 N ATOM 673 CA TYR A 43 2.334 -5.347 2.171 1.00 0.00 C ATOM 674 C TYR A 43 3.489 -4.415 1.818 1.00 0.00 C ATOM 675 O TYR A 43 3.695 -3.391 2.470 1.00 0.00 O ATOM 676 CB TYR A 43 1.324 -5.383 1.023 1.00 0.00 C ATOM 677 CG TYR A 43 0.575 -6.692 0.915 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.252 -7.906 0.934 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.809 -6.716 0.797 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.572 -9.104 0.835 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.497 -7.910 0.699 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.803 -9.101 0.718 1.00 0.00 C ATOM 683 OH TYR A 43 -1.484 -10.293 0.621 1.00 0.00 O ATOM 0 H TYR A 43 1.715 -3.921 3.578 1.00 0.00 H new ATOM 0 HA TYR A 43 2.735 -6.349 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.606 -4.574 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.846 -5.195 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.328 -7.912 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.357 -5.785 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.114 -10.038 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.573 -7.910 0.608 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.445 -10.116 0.546 1.00 0.00 H new ATOM 693 N GLU A 44 4.238 -4.777 0.782 1.00 0.00 N ATOM 694 CA GLU A 44 5.373 -3.973 0.342 1.00 0.00 C ATOM 695 C GLU A 44 5.509 -4.009 -1.177 1.00 0.00 C ATOM 696 O GLU A 44 5.581 -5.079 -1.780 1.00 0.00 O ATOM 697 CB GLU A 44 6.664 -4.473 0.993 1.00 0.00 C ATOM 698 CG GLU A 44 7.923 -3.900 0.366 1.00 0.00 C ATOM 699 CD GLU A 44 9.186 -4.358 1.070 1.00 0.00 C ATOM 700 OE1 GLU A 44 9.341 -4.052 2.271 1.00 0.00 O ATOM 701 OE2 GLU A 44 10.019 -5.023 0.419 1.00 0.00 O ATOM 0 H GLU A 44 4.080 -5.621 0.232 1.00 0.00 H new ATOM 0 HA GLU A 44 5.196 -2.942 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.648 -4.219 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.697 -5.560 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.969 -4.195 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.873 -2.811 0.389 1.00 0.00 H new ATOM 708 N GLY A 45 5.542 -2.830 -1.791 1.00 0.00 N ATOM 709 CA GLY A 45 5.668 -2.748 -3.234 1.00 0.00 C ATOM 710 C GLY A 45 6.318 -1.455 -3.687 1.00 0.00 C ATOM 711 O GLY A 45 7.064 -0.831 -2.933 1.00 0.00 O ATOM 0 H GLY A 45 5.484 -1.930 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.257 -3.592 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.680 -2.833 -3.687 1.00 0.00 H new ATOM 715 N GLU A 46 6.036 -1.053 -4.922 1.00 0.00 N ATOM 716 CA GLU A 46 6.601 0.172 -5.474 1.00 0.00 C ATOM 717 C GLU A 46 5.521 1.014 -6.147 1.00 0.00 C ATOM 718 O GLU A 46 4.559 0.482 -6.703 1.00 0.00 O ATOM 719 CB GLU A 46 7.706 -0.157 -6.480 1.00 0.00 C ATOM 720 CG GLU A 46 7.938 0.935 -7.510 1.00 0.00 C ATOM 721 CD GLU A 46 7.060 0.776 -8.736 1.00 0.00 C ATOM 722 OE1 GLU A 46 6.104 -0.025 -8.682 1.00 0.00 O ATOM 723 OE2 GLU A 46 7.330 1.454 -9.750 1.00 0.00 O ATOM 0 H GLU A 46 5.420 -1.558 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 46 7.027 0.747 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.635 -0.338 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.452 -1.083 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.746 1.906 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.985 0.926 -7.814 1.00 0.00 H new ATOM 730 N HIS A 47 5.687 2.332 -6.093 1.00 0.00 N ATOM 731 CA HIS A 47 4.727 3.249 -6.697 1.00 0.00 C ATOM 732 C HIS A 47 5.357 4.618 -6.934 1.00 0.00 C ATOM 733 O HIS A 47 5.865 5.248 -6.005 1.00 0.00 O ATOM 734 CB HIS A 47 3.493 3.390 -5.804 1.00 0.00 C ATOM 735 CG HIS A 47 2.383 4.173 -6.436 1.00 0.00 C ATOM 736 ND1 HIS A 47 1.985 5.413 -5.983 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.587 3.886 -7.492 1.00 0.00 C ATOM 738 CE1 HIS A 47 0.991 5.854 -6.733 1.00 0.00 C ATOM 739 NE2 HIS A 47 0.730 4.946 -7.656 1.00 0.00 N ATOM 0 H HIS A 47 6.477 2.789 -5.637 1.00 0.00 H new ATOM 0 HA HIS A 47 4.425 2.837 -7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.125 2.397 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.783 3.874 -4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.620 2.990 -8.094 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.479 6.797 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.009 5.020 -8.374 1.00 0.00 H new ATOM 748 N HIS A 48 5.323 5.072 -8.182 1.00 0.00 N ATOM 749 CA HIS A 48 5.892 6.367 -8.541 1.00 0.00 C ATOM 750 C HIS A 48 7.374 6.426 -8.185 1.00 0.00 C ATOM 751 O HIS A 48 7.820 7.338 -7.490 1.00 0.00 O ATOM 752 CB HIS A 48 5.140 7.492 -7.831 1.00 0.00 C ATOM 753 CG HIS A 48 5.173 8.794 -8.570 1.00 0.00 C ATOM 754 ND1 HIS A 48 6.133 9.760 -8.351 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.358 9.288 -9.531 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.906 10.791 -9.145 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.834 10.530 -9.871 1.00 0.00 N ATOM 0 H HIS A 48 4.908 4.563 -8.962 1.00 0.00 H new ATOM 0 HA HIS A 48 5.790 6.495 -9.619 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.102 7.191 -7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.569 7.635 -6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.494 8.796 -9.952 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.497 11.694 -9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.426 11.150 -10.570 1.00 0.00 H new ATOM 766 N GLY A 49 8.134 5.446 -8.667 1.00 0.00 N ATOM 767 CA GLY A 49 9.557 5.406 -8.388 1.00 0.00 C ATOM 768 C GLY A 49 9.858 5.427 -6.903 1.00 0.00 C ATOM 769 O GLY A 49 10.880 5.966 -6.477 1.00 0.00 O ATOM 0 H GLY A 49 7.789 4.680 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.985 4.506 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.042 6.257 -8.866 1.00 0.00 H new ATOM 773 N ARG A 50 8.965 4.841 -6.111 1.00 0.00 N ATOM 774 CA ARG A 50 9.139 4.797 -4.664 1.00 0.00 C ATOM 775 C ARG A 50 8.871 3.395 -4.126 1.00 0.00 C ATOM 776 O ARG A 50 8.281 2.558 -4.811 1.00 0.00 O ATOM 777 CB ARG A 50 8.206 5.802 -3.987 1.00 0.00 C ATOM 778 CG ARG A 50 8.753 6.357 -2.682 1.00 0.00 C ATOM 779 CD ARG A 50 8.039 7.638 -2.278 1.00 0.00 C ATOM 780 NE ARG A 50 8.841 8.447 -1.365 1.00 0.00 N ATOM 781 CZ ARG A 50 9.891 9.165 -1.748 1.00 0.00 C ATOM 782 NH1 ARG A 50 10.264 9.174 -3.021 1.00 0.00 N ATOM 783 NH2 ARG A 50 10.571 9.876 -0.858 1.00 0.00 N ATOM 0 H ARG A 50 8.114 4.390 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 50 10.172 5.062 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.017 6.628 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.247 5.322 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.641 5.613 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.820 6.552 -2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.807 8.220 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.090 7.390 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 50 8.581 8.462 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.744 8.629 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.071 9.726 -3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.288 9.872 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.377 10.427 -1.154 1.00 0.00 H new ATOM 797 N VAL A 51 9.308 3.145 -2.896 1.00 0.00 N ATOM 798 CA VAL A 51 9.114 1.844 -2.266 1.00 0.00 C ATOM 799 C VAL A 51 8.784 1.995 -0.785 1.00 0.00 C ATOM 800 O VAL A 51 9.313 2.874 -0.107 1.00 0.00 O ATOM 801 CB VAL A 51 10.364 0.957 -2.414 1.00 0.00 C ATOM 802 CG1 VAL A 51 10.114 -0.421 -1.822 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.773 0.852 -3.876 1.00 0.00 C ATOM 0 H VAL A 51 9.799 3.826 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 51 8.277 1.367 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 51 11.183 1.419 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.008 -1.034 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.873 -0.324 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.281 -0.895 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.658 0.222 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.958 0.413 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.997 1.846 -4.264 1.00 0.00 H new ATOM 813 N GLY A 52 7.905 1.130 -0.289 1.00 0.00 N ATOM 814 CA GLY A 52 7.519 1.183 1.109 1.00 0.00 C ATOM 815 C GLY A 52 6.573 0.062 1.492 1.00 0.00 C ATOM 816 O GLY A 52 6.671 -1.048 0.968 1.00 0.00 O ATOM 0 H GLY A 52 7.453 0.393 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.412 1.129 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.044 2.142 1.315 1.00 0.00 H new ATOM 820 N ILE A 53 5.657 0.351 2.411 1.00 0.00 N ATOM 821 CA ILE A 53 4.691 -0.642 2.864 1.00 0.00 C ATOM 822 C ILE A 53 3.296 -0.038 2.982 1.00 0.00 C ATOM 823 O ILE A 53 3.144 1.175 3.134 1.00 0.00 O ATOM 824 CB ILE A 53 5.096 -1.240 4.224 1.00 0.00 C ATOM 825 CG1 ILE A 53 4.961 -0.190 5.329 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.519 -1.775 4.166 1.00 0.00 C ATOM 827 CD1 ILE A 53 5.155 -0.749 6.721 1.00 0.00 C ATOM 0 H ILE A 53 5.564 1.264 2.856 1.00 0.00 H new ATOM 0 HA ILE A 53 4.679 -1.435 2.116 1.00 0.00 H new ATOM 0 HB ILE A 53 4.426 -2.069 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.692 0.601 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.974 0.269 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.790 -2.194 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.585 -2.551 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.203 -0.963 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.045 0.051 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.408 -1.520 6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.152 -1.182 6.804 1.00 0.00 H new ATOM 839 N PHE A 54 2.280 -0.891 2.913 1.00 0.00 N ATOM 840 CA PHE A 54 0.896 -0.442 3.012 1.00 0.00 C ATOM 841 C PHE A 54 -0.024 -1.597 3.395 1.00 0.00 C ATOM 842 O PHE A 54 0.257 -2.764 3.124 1.00 0.00 O ATOM 843 CB PHE A 54 0.440 0.171 1.687 1.00 0.00 C ATOM 844 CG PHE A 54 0.835 -0.639 0.485 1.00 0.00 C ATOM 845 CD1 PHE A 54 2.122 -0.566 -0.024 1.00 0.00 C ATOM 846 CD2 PHE A 54 -0.080 -1.473 -0.137 1.00 0.00 C ATOM 847 CE1 PHE A 54 2.488 -1.309 -1.130 1.00 0.00 C ATOM 848 CE2 PHE A 54 0.280 -2.219 -1.243 1.00 0.00 C ATOM 849 CZ PHE A 54 1.566 -2.137 -1.740 1.00 0.00 C ATOM 0 H PHE A 54 2.389 -1.898 2.789 1.00 0.00 H new ATOM 0 HA PHE A 54 0.841 0.317 3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.644 0.281 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.861 1.172 1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.847 0.079 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.087 -1.541 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.494 -1.242 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.443 -2.865 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.850 -2.719 -2.604 1.00 0.00 H new ATOM 859 N PRO A 55 -1.151 -1.265 4.042 1.00 0.00 N ATOM 860 CA PRO A 55 -2.137 -2.260 4.477 1.00 0.00 C ATOM 861 C PRO A 55 -2.880 -2.891 3.304 1.00 0.00 C ATOM 862 O PRO A 55 -3.190 -2.219 2.320 1.00 0.00 O ATOM 863 CB PRO A 55 -3.100 -1.448 5.346 1.00 0.00 C ATOM 864 CG PRO A 55 -2.979 -0.051 4.843 1.00 0.00 C ATOM 865 CD PRO A 55 -1.551 0.107 4.399 1.00 0.00 C ATOM 0 HA PRO A 55 -1.671 -3.095 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.122 -1.815 5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.832 -1.513 6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.667 0.127 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.227 0.668 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.467 0.784 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.926 0.514 5.194 1.00 0.00 H new ATOM 873 N ARG A 56 -3.162 -4.184 3.416 1.00 0.00 N ATOM 874 CA ARG A 56 -3.869 -4.906 2.364 1.00 0.00 C ATOM 875 C ARG A 56 -5.350 -4.539 2.354 1.00 0.00 C ATOM 876 O ARG A 56 -6.052 -4.774 1.370 1.00 0.00 O ATOM 877 CB ARG A 56 -3.707 -6.415 2.555 1.00 0.00 C ATOM 878 CG ARG A 56 -4.309 -6.934 3.850 1.00 0.00 C ATOM 879 CD ARG A 56 -4.675 -8.406 3.744 1.00 0.00 C ATOM 880 NE ARG A 56 -5.949 -8.605 3.059 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.131 -8.391 3.628 1.00 0.00 C ATOM 882 NH1 ARG A 56 -7.199 -7.973 4.884 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.246 -8.595 2.939 1.00 0.00 N ATOM 0 H ARG A 56 -2.912 -4.754 4.224 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.435 -4.620 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.173 -6.931 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.646 -6.663 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.599 -6.792 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.198 -6.354 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.888 -8.937 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.729 -8.839 4.743 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.931 -8.926 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.343 -7.815 5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.107 -7.809 5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.197 -8.916 1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.153 -8.431 3.376 1.00 0.00 H new ATOM 897 N THR A 57 -5.819 -3.962 3.456 1.00 0.00 N ATOM 898 CA THR A 57 -7.216 -3.565 3.575 1.00 0.00 C ATOM 899 C THR A 57 -7.492 -2.283 2.797 1.00 0.00 C ATOM 900 O THR A 57 -8.626 -1.808 2.746 1.00 0.00 O ATOM 901 CB THR A 57 -7.618 -3.356 5.047 1.00 0.00 C ATOM 902 OG1 THR A 57 -8.851 -2.631 5.121 1.00 0.00 O ATOM 903 CG2 THR A 57 -6.534 -2.600 5.801 1.00 0.00 C ATOM 0 H THR A 57 -5.251 -3.759 4.279 1.00 0.00 H new ATOM 0 HA THR A 57 -7.811 -4.376 3.156 1.00 0.00 H new ATOM 0 HB THR A 57 -7.745 -4.335 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.205 -2.495 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.840 -2.464 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.604 -3.168 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.380 -1.626 5.337 1.00 0.00 H new ATOM 911 N TYR A 58 -6.447 -1.727 2.194 1.00 0.00 N ATOM 912 CA TYR A 58 -6.576 -0.498 1.420 1.00 0.00 C ATOM 913 C TYR A 58 -6.451 -0.779 -0.074 1.00 0.00 C ATOM 914 O TYR A 58 -6.993 -0.047 -0.902 1.00 0.00 O ATOM 915 CB TYR A 58 -5.514 0.514 1.851 1.00 0.00 C ATOM 916 CG TYR A 58 -5.965 1.427 2.968 1.00 0.00 C ATOM 917 CD1 TYR A 58 -5.955 0.997 4.290 1.00 0.00 C ATOM 918 CD2 TYR A 58 -6.402 2.719 2.704 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.367 1.827 5.314 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.814 3.557 3.722 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.795 3.106 5.025 1.00 0.00 C ATOM 922 OH TYR A 58 -7.206 3.936 6.042 1.00 0.00 O ATOM 0 H TYR A 58 -5.501 -2.108 2.226 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.565 -0.081 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.621 -0.023 2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.231 1.120 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.619 -0.003 4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.420 3.075 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.354 1.477 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.149 4.559 3.499 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.475 4.802 5.669 1.00 0.00 H new ATOM 932 N ILE A 59 -5.733 -1.846 -0.411 1.00 0.00 N ATOM 933 CA ILE A 59 -5.538 -2.226 -1.804 1.00 0.00 C ATOM 934 C ILE A 59 -6.330 -3.483 -2.148 1.00 0.00 C ATOM 935 O ILE A 59 -6.885 -4.138 -1.266 1.00 0.00 O ATOM 936 CB ILE A 59 -4.050 -2.469 -2.118 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.545 -3.706 -1.373 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.224 -1.246 -1.747 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.944 -5.010 -2.027 1.00 0.00 C ATOM 0 H ILE A 59 -5.277 -2.462 0.262 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.899 -1.395 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.943 -2.644 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.458 -3.661 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.929 -3.688 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.175 -1.433 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.572 -0.385 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.333 -1.043 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.552 -5.844 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.031 -5.077 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.537 -5.050 -3.037 1.00 0.00 H new ATOM 951 N GLU A 60 -6.376 -3.813 -3.434 1.00 0.00 N ATOM 952 CA GLU A 60 -7.100 -4.993 -3.894 1.00 0.00 C ATOM 953 C GLU A 60 -6.256 -5.802 -4.875 1.00 0.00 C ATOM 954 O GLU A 60 -5.982 -5.356 -5.990 1.00 0.00 O ATOM 955 CB GLU A 60 -8.418 -4.585 -4.555 1.00 0.00 C ATOM 956 CG GLU A 60 -9.091 -5.713 -5.318 1.00 0.00 C ATOM 957 CD GLU A 60 -9.521 -6.854 -4.416 1.00 0.00 C ATOM 958 OE1 GLU A 60 -10.353 -6.618 -3.516 1.00 0.00 O ATOM 959 OE2 GLU A 60 -9.023 -7.983 -4.611 1.00 0.00 O ATOM 0 H GLU A 60 -5.921 -3.281 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.315 -5.616 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.101 -4.218 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.231 -3.757 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.963 -5.322 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.406 -6.093 -6.076 1.00 0.00 H new ATOM 966 N LEU A 61 -5.846 -6.992 -4.451 1.00 0.00 N ATOM 967 CA LEU A 61 -5.032 -7.864 -5.291 1.00 0.00 C ATOM 968 C LEU A 61 -5.786 -8.261 -6.556 1.00 0.00 C ATOM 969 O LEU A 61 -6.912 -8.757 -6.490 1.00 0.00 O ATOM 970 CB LEU A 61 -4.622 -9.116 -4.514 1.00 0.00 C ATOM 971 CG LEU A 61 -3.344 -9.002 -3.683 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.162 -10.235 -2.810 1.00 0.00 C ATOM 973 CD2 LEU A 61 -2.136 -8.804 -4.587 1.00 0.00 C ATOM 0 H LEU A 61 -6.064 -7.375 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.137 -7.315 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.441 -9.391 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.499 -9.935 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.433 -8.132 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.247 -10.135 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.014 -10.333 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.095 -11.121 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.235 -8.725 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.044 -9.654 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.262 -7.891 -5.168 1.00 0.00 H new ATOM 985 N LEU A 62 -5.159 -8.042 -7.706 1.00 0.00 N ATOM 986 CA LEU A 62 -5.770 -8.379 -8.987 1.00 0.00 C ATOM 987 C LEU A 62 -5.430 -9.810 -9.393 1.00 0.00 C ATOM 988 O LEU A 62 -5.076 -10.072 -10.542 1.00 0.00 O ATOM 989 CB LEU A 62 -5.302 -7.405 -10.070 1.00 0.00 C ATOM 990 CG LEU A 62 -5.546 -5.922 -9.789 1.00 0.00 C ATOM 991 CD1 LEU A 62 -4.778 -5.058 -10.777 1.00 0.00 C ATOM 992 CD2 LEU A 62 -7.034 -5.606 -9.846 1.00 0.00 C ATOM 0 H LEU A 62 -4.228 -7.632 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.852 -8.299 -8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.234 -7.554 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.801 -7.664 -11.004 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.185 -5.698 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.964 -4.006 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.711 -5.264 -10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.108 -5.284 -11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.189 -4.546 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.419 -5.846 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.561 -6.199 -9.098 1.00 0.00 H new ATOM 1004 N SER A 63 -5.542 -10.732 -8.442 1.00 0.00 N ATOM 1005 CA SER A 63 -5.245 -12.136 -8.700 1.00 0.00 C ATOM 1006 C SER A 63 -6.483 -12.868 -9.209 1.00 0.00 C ATOM 1007 O SER A 63 -6.729 -14.019 -8.849 1.00 0.00 O ATOM 1008 CB SER A 63 -4.726 -12.811 -7.429 1.00 0.00 C ATOM 1009 OG SER A 63 -5.720 -12.831 -6.419 1.00 0.00 O ATOM 0 H SER A 63 -5.836 -10.532 -7.486 1.00 0.00 H new ATOM 0 HA SER A 63 -4.474 -12.184 -9.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.414 -13.830 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.845 -12.281 -7.066 1.00 0.00 H new ATOM 0 HG SER A 63 -5.364 -13.269 -5.618 1.00 0.00 H new ATOM 1015 N GLY A 64 -7.260 -12.191 -10.049 1.00 0.00 N ATOM 1016 CA GLY A 64 -8.463 -12.792 -10.595 1.00 0.00 C ATOM 1017 C GLY A 64 -8.358 -13.051 -12.084 1.00 0.00 C ATOM 1018 O GLY A 64 -7.432 -12.591 -12.752 1.00 0.00 O ATOM 0 H GLY A 64 -7.078 -11.237 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.662 -13.731 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.312 -12.136 -10.403 1.00 0.00 H new ATOM 1022 N PRO A 65 -9.324 -13.807 -12.628 1.00 0.00 N ATOM 1023 CA PRO A 65 -9.358 -14.144 -14.054 1.00 0.00 C ATOM 1024 C PRO A 65 -9.675 -12.936 -14.928 1.00 0.00 C ATOM 1025 O PRO A 65 -10.006 -11.863 -14.424 1.00 0.00 O ATOM 1026 CB PRO A 65 -10.480 -15.181 -14.146 1.00 0.00 C ATOM 1027 CG PRO A 65 -11.363 -14.888 -12.983 1.00 0.00 C ATOM 1028 CD PRO A 65 -10.459 -14.389 -11.891 1.00 0.00 C ATOM 0 HA PRO A 65 -8.394 -14.506 -14.411 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.023 -15.094 -15.087 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.086 -16.196 -14.098 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.113 -14.140 -13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.901 -15.782 -12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.955 -13.647 -11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.139 -15.197 -11.233 1.00 0.00 H new ATOM 1036 N SER A 66 -9.573 -13.118 -16.241 1.00 0.00 N ATOM 1037 CA SER A 66 -9.846 -12.041 -17.185 1.00 0.00 C ATOM 1038 C SER A 66 -10.833 -12.496 -18.257 1.00 0.00 C ATOM 1039 O SER A 66 -11.184 -13.673 -18.333 1.00 0.00 O ATOM 1040 CB SER A 66 -8.547 -11.567 -17.840 1.00 0.00 C ATOM 1041 OG SER A 66 -7.990 -12.580 -18.660 1.00 0.00 O ATOM 0 H SER A 66 -9.303 -14.001 -16.675 1.00 0.00 H new ATOM 0 HA SER A 66 -10.290 -11.212 -16.634 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.741 -10.677 -18.438 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.830 -11.283 -17.070 1.00 0.00 H new ATOM 0 HG SER A 66 -7.162 -12.252 -19.068 1.00 0.00 H new ATOM 1047 N SER A 67 -11.276 -11.553 -19.082 1.00 0.00 N ATOM 1048 CA SER A 67 -12.226 -11.854 -20.147 1.00 0.00 C ATOM 1049 C SER A 67 -11.566 -11.723 -21.516 1.00 0.00 C ATOM 1050 O SER A 67 -11.255 -10.620 -21.965 1.00 0.00 O ATOM 1051 CB SER A 67 -13.435 -10.921 -20.060 1.00 0.00 C ATOM 1052 OG SER A 67 -14.216 -10.987 -21.241 1.00 0.00 O ATOM 0 H SER A 67 -10.993 -10.574 -19.034 1.00 0.00 H new ATOM 0 HA SER A 67 -12.561 -12.884 -20.021 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.047 -11.193 -19.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.097 -9.897 -19.900 1.00 0.00 H new ATOM 0 HG SER A 67 -14.983 -10.383 -21.160 1.00 0.00 H new ATOM 1058 N GLY A 68 -11.355 -12.858 -22.176 1.00 0.00 N ATOM 1059 CA GLY A 68 -10.733 -12.849 -23.487 1.00 0.00 C ATOM 1060 C GLY A 68 -9.264 -13.220 -23.435 1.00 0.00 C ATOM 1061 O GLY A 68 -8.900 -14.373 -23.667 1.00 0.00 O ATOM 0 H GLY A 68 -11.604 -13.783 -21.826 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.258 -13.547 -24.139 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.839 -11.858 -23.929 1.00 0.00 H new TER 1065 GLY A 68