USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 395 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 40 CYS SG : rot -79:sc= -5.23! USER MOD Set 1.2: A 50 MET CE :methyl -137:sc= -4.32! (180deg=-2.74!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.108 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.822 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.127 USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 0.0189 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0165 X(o=-0.016,f=-0.039) USER MOD Single : A 23 THR OG1 : rot 13:sc= -0.697 USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.152 USER MOD Single : A 26 THR OG1 : rot -72:sc= 0.963! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0877 X(o=-0.088,f=0) USER MOD Single : A 36 MET CE :methyl 167:sc= -1.46 (180deg=-2.53) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.3!) USER MOD Single : A 43 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.017) USER MOD Single : A 46 MET CE :methyl -168:sc= -0.464 (180deg=-0.684) USER MOD Single : A 49 THR OG1 : rot 89:sc= 0.826 USER MOD Single : A 57 SER OG : rot 15:sc= 0.998 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.965 -7.821 13.033 1.00 0.00 N ATOM 2 CA GLY A 1 -10.296 -7.668 11.752 1.00 0.00 C ATOM 3 C GLY A 1 -9.106 -6.713 11.865 1.00 0.00 C ATOM 4 O GLY A 1 -8.958 -6.016 12.868 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.866 -8.803 13.362 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.535 -7.178 13.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.974 -7.592 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.954 -8.641 11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.001 -7.290 11.012 1.00 0.00 H new ATOM 8 N SER A 2 -8.289 -6.711 10.822 1.00 0.00 N ATOM 9 CA SER A 2 -7.117 -5.853 10.791 1.00 0.00 C ATOM 10 C SER A 2 -7.543 -4.384 10.800 1.00 0.00 C ATOM 11 O SER A 2 -8.043 -3.873 9.799 1.00 0.00 O ATOM 12 CB SER A 2 -6.251 -6.148 9.565 1.00 0.00 C ATOM 13 OG SER A 2 -6.942 -5.882 8.347 1.00 0.00 O ATOM 0 H SER A 2 -8.416 -7.290 9.992 1.00 0.00 H new ATOM 0 HA SER A 2 -6.521 -6.056 11.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.345 -5.544 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.939 -7.192 9.584 1.00 0.00 H new ATOM 0 HG SER A 2 -7.486 -5.074 8.450 1.00 0.00 H new ATOM 19 N SER A 3 -7.330 -3.746 11.941 1.00 0.00 N ATOM 20 CA SER A 3 -7.686 -2.345 12.093 1.00 0.00 C ATOM 21 C SER A 3 -9.123 -2.116 11.618 1.00 0.00 C ATOM 22 O SER A 3 -9.353 -1.818 10.447 1.00 0.00 O ATOM 23 CB SER A 3 -6.721 -1.445 11.319 1.00 0.00 C ATOM 24 OG SER A 3 -6.015 -0.555 12.180 1.00 0.00 O ATOM 0 H SER A 3 -6.915 -4.173 12.769 1.00 0.00 H new ATOM 0 HA SER A 3 -7.614 -2.086 13.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.008 -2.063 10.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.277 -0.869 10.579 1.00 0.00 H new ATOM 0 HG SER A 3 -5.408 0.001 11.649 1.00 0.00 H new ATOM 30 N GLY A 4 -10.051 -2.264 12.552 1.00 0.00 N ATOM 31 CA GLY A 4 -11.459 -2.077 12.243 1.00 0.00 C ATOM 32 C GLY A 4 -11.767 -0.605 11.960 1.00 0.00 C ATOM 33 O GLY A 4 -10.863 0.178 11.671 1.00 0.00 O ATOM 0 H GLY A 4 -9.856 -2.511 13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.728 -2.682 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.068 -2.426 13.077 1.00 0.00 H new ATOM 37 N SER A 5 -13.046 -0.273 12.052 1.00 0.00 N ATOM 38 CA SER A 5 -13.485 1.091 11.809 1.00 0.00 C ATOM 39 C SER A 5 -14.965 1.236 12.167 1.00 0.00 C ATOM 40 O SER A 5 -15.365 2.222 12.785 1.00 0.00 O ATOM 41 CB SER A 5 -13.249 1.494 10.352 1.00 0.00 C ATOM 42 OG SER A 5 -13.227 0.365 9.483 1.00 0.00 O ATOM 0 H SER A 5 -13.793 -0.925 12.292 1.00 0.00 H new ATOM 0 HA SER A 5 -12.898 1.757 12.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.033 2.181 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.304 2.031 10.273 1.00 0.00 H new ATOM 0 HG SER A 5 -13.076 0.664 8.562 1.00 0.00 H new ATOM 48 N SER A 6 -15.739 0.239 11.764 1.00 0.00 N ATOM 49 CA SER A 6 -17.167 0.243 12.034 1.00 0.00 C ATOM 50 C SER A 6 -17.765 1.603 11.667 1.00 0.00 C ATOM 51 O SER A 6 -17.922 2.469 12.527 1.00 0.00 O ATOM 52 CB SER A 6 -17.450 -0.083 13.502 1.00 0.00 C ATOM 53 OG SER A 6 -18.336 -1.190 13.642 1.00 0.00 O ATOM 0 H SER A 6 -15.404 -0.577 11.252 1.00 0.00 H new ATOM 0 HA SER A 6 -17.634 -0.529 11.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.512 -0.303 14.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.881 0.791 13.991 1.00 0.00 H new ATOM 0 HG SER A 6 -18.490 -1.367 14.593 1.00 0.00 H new ATOM 59 N GLY A 7 -18.083 1.748 10.389 1.00 0.00 N ATOM 60 CA GLY A 7 -18.660 2.988 9.898 1.00 0.00 C ATOM 61 C GLY A 7 -17.870 3.525 8.703 1.00 0.00 C ATOM 62 O GLY A 7 -17.068 4.447 8.848 1.00 0.00 O ATOM 0 H GLY A 7 -17.952 1.028 9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.697 2.821 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.669 3.730 10.696 1.00 0.00 H new ATOM 66 N GLY A 8 -18.124 2.926 7.549 1.00 0.00 N ATOM 67 CA GLY A 8 -17.447 3.332 6.329 1.00 0.00 C ATOM 68 C GLY A 8 -17.664 4.821 6.052 1.00 0.00 C ATOM 69 O GLY A 8 -18.792 5.257 5.830 1.00 0.00 O ATOM 0 H GLY A 8 -18.790 2.162 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.380 3.126 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.819 2.744 5.490 1.00 0.00 H new ATOM 73 N SER A 9 -16.565 5.561 6.074 1.00 0.00 N ATOM 74 CA SER A 9 -16.621 6.992 5.827 1.00 0.00 C ATOM 75 C SER A 9 -15.274 7.484 5.293 1.00 0.00 C ATOM 76 O SER A 9 -14.222 7.067 5.774 1.00 0.00 O ATOM 77 CB SER A 9 -16.999 7.755 7.098 1.00 0.00 C ATOM 78 OG SER A 9 -16.054 7.550 8.145 1.00 0.00 O ATOM 0 H SER A 9 -15.631 5.196 6.259 1.00 0.00 H new ATOM 0 HA SER A 9 -17.391 7.181 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.067 8.820 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.986 7.435 7.433 1.00 0.00 H new ATOM 0 HG SER A 9 -16.330 8.055 8.938 1.00 0.00 H new ATOM 84 N ALA A 10 -15.351 8.365 4.306 1.00 0.00 N ATOM 85 CA ALA A 10 -14.151 8.918 3.702 1.00 0.00 C ATOM 86 C ALA A 10 -13.308 7.782 3.120 1.00 0.00 C ATOM 87 O ALA A 10 -13.653 6.610 3.266 1.00 0.00 O ATOM 88 CB ALA A 10 -13.386 9.738 4.743 1.00 0.00 C ATOM 0 H ALA A 10 -16.226 8.709 3.910 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.408 9.590 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.486 10.153 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.018 10.550 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.108 9.096 5.579 1.00 0.00 H new ATOM 94 N ALA A 11 -12.219 8.168 2.472 1.00 0.00 N ATOM 95 CA ALA A 11 -11.324 7.196 1.868 1.00 0.00 C ATOM 96 C ALA A 11 -10.706 6.327 2.965 1.00 0.00 C ATOM 97 O ALA A 11 -9.823 6.776 3.694 1.00 0.00 O ATOM 98 CB ALA A 11 -10.266 7.924 1.036 1.00 0.00 C ATOM 0 H ALA A 11 -11.936 9.141 2.352 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.872 6.537 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.594 7.195 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.755 8.503 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.694 8.593 1.679 1.00 0.00 H new ATOM 104 N SER A 12 -11.194 5.098 3.047 1.00 0.00 N ATOM 105 CA SER A 12 -10.701 4.162 4.043 1.00 0.00 C ATOM 106 C SER A 12 -10.731 2.738 3.482 1.00 0.00 C ATOM 107 O SER A 12 -9.705 2.060 3.445 1.00 0.00 O ATOM 108 CB SER A 12 -11.523 4.243 5.330 1.00 0.00 C ATOM 109 OG SER A 12 -11.003 3.395 6.351 1.00 0.00 O ATOM 0 H SER A 12 -11.926 4.729 2.440 1.00 0.00 H new ATOM 0 HA SER A 12 -9.672 4.429 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.537 5.273 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.555 3.965 5.119 1.00 0.00 H new ATOM 0 HG SER A 12 -11.555 3.477 7.157 1.00 0.00 H new ATOM 115 N SER A 13 -11.918 2.327 3.061 1.00 0.00 N ATOM 116 CA SER A 13 -12.094 0.996 2.505 1.00 0.00 C ATOM 117 C SER A 13 -11.200 0.820 1.276 1.00 0.00 C ATOM 118 O SER A 13 -10.384 -0.100 1.225 1.00 0.00 O ATOM 119 CB SER A 13 -13.558 0.743 2.136 1.00 0.00 C ATOM 120 OG SER A 13 -14.050 1.710 1.212 1.00 0.00 O ATOM 0 H SER A 13 -12.767 2.892 3.094 1.00 0.00 H new ATOM 0 HA SER A 13 -11.807 0.268 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.656 -0.253 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.168 0.761 3.039 1.00 0.00 H new ATOM 0 HG SER A 13 -14.986 1.513 1.000 1.00 0.00 H new ATOM 126 N ALA A 14 -11.383 1.715 0.317 1.00 0.00 N ATOM 127 CA ALA A 14 -10.602 1.669 -0.908 1.00 0.00 C ATOM 128 C ALA A 14 -9.112 1.672 -0.559 1.00 0.00 C ATOM 129 O ALA A 14 -8.362 0.811 -1.016 1.00 0.00 O ATOM 130 CB ALA A 14 -10.992 2.845 -1.806 1.00 0.00 C ATOM 0 H ALA A 14 -12.060 2.476 0.363 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.809 0.753 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.407 2.811 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.053 2.781 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.795 3.782 -1.285 1.00 0.00 H new ATOM 136 N LEU A 15 -8.728 2.650 0.249 1.00 0.00 N ATOM 137 CA LEU A 15 -7.342 2.776 0.665 1.00 0.00 C ATOM 138 C LEU A 15 -6.853 1.432 1.209 1.00 0.00 C ATOM 139 O LEU A 15 -5.962 0.812 0.631 1.00 0.00 O ATOM 140 CB LEU A 15 -7.182 3.934 1.652 1.00 0.00 C ATOM 141 CG LEU A 15 -5.744 4.343 1.978 1.00 0.00 C ATOM 142 CD1 LEU A 15 -4.803 4.013 0.817 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.670 5.820 2.373 1.00 0.00 C ATOM 0 H LEU A 15 -9.353 3.362 0.626 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.710 3.024 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.704 4.803 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.682 3.664 2.582 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.411 3.762 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.788 4.314 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.826 2.940 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.125 4.549 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.637 6.085 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.030 6.436 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.290 5.993 3.253 1.00 0.00 H new ATOM 155 N LYS A 16 -7.458 1.022 2.314 1.00 0.00 N ATOM 156 CA LYS A 16 -7.096 -0.237 2.942 1.00 0.00 C ATOM 157 C LYS A 16 -7.096 -1.347 1.889 1.00 0.00 C ATOM 158 O LYS A 16 -6.075 -1.993 1.662 1.00 0.00 O ATOM 159 CB LYS A 16 -8.008 -0.522 4.137 1.00 0.00 C ATOM 160 CG LYS A 16 -7.827 -1.957 4.635 1.00 0.00 C ATOM 161 CD LYS A 16 -8.448 -2.139 6.022 1.00 0.00 C ATOM 162 CE LYS A 16 -9.754 -2.932 5.937 1.00 0.00 C ATOM 163 NZ LYS A 16 -9.893 -3.828 7.107 1.00 0.00 N ATOM 0 H LYS A 16 -8.197 1.540 2.791 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.086 -0.183 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.786 0.177 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.048 -0.361 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.289 -2.651 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.765 -2.201 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.745 -2.657 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.639 -1.164 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.600 -2.247 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.771 -3.518 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.891 -3.866 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.570 -4.783 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.316 -3.465 7.893 1.00 0.00 H new ATOM 177 N GLY A 17 -8.255 -1.534 1.274 1.00 0.00 N ATOM 178 CA GLY A 17 -8.402 -2.555 0.251 1.00 0.00 C ATOM 179 C GLY A 17 -7.157 -2.627 -0.636 1.00 0.00 C ATOM 180 O GLY A 17 -6.598 -3.703 -0.841 1.00 0.00 O ATOM 0 H GLY A 17 -9.100 -0.996 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.574 -3.523 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.277 -2.338 -0.362 1.00 0.00 H new ATOM 184 N LEU A 18 -6.759 -1.466 -1.136 1.00 0.00 N ATOM 185 CA LEU A 18 -5.590 -1.384 -1.995 1.00 0.00 C ATOM 186 C LEU A 18 -4.341 -1.737 -1.186 1.00 0.00 C ATOM 187 O LEU A 18 -3.556 -2.594 -1.590 1.00 0.00 O ATOM 188 CB LEU A 18 -5.517 -0.013 -2.671 1.00 0.00 C ATOM 189 CG LEU A 18 -6.437 0.191 -3.876 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.701 1.678 -4.120 1.00 0.00 C ATOM 191 CD2 LEU A 18 -5.875 -0.503 -5.119 1.00 0.00 C ATOM 0 H LEU A 18 -7.225 -0.575 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.661 -2.110 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.751 0.749 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.489 0.158 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.398 -0.274 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.358 1.794 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.177 2.112 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.757 2.188 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.548 -0.342 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.894 -0.090 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.782 -1.572 -4.928 1.00 0.00 H new ATOM 203 N ILE A 19 -4.195 -1.060 -0.056 1.00 0.00 N ATOM 204 CA ILE A 19 -3.055 -1.292 0.814 1.00 0.00 C ATOM 205 C ILE A 19 -2.759 -2.792 0.870 1.00 0.00 C ATOM 206 O ILE A 19 -1.628 -3.214 0.633 1.00 0.00 O ATOM 207 CB ILE A 19 -3.292 -0.660 2.187 1.00 0.00 C ATOM 208 CG1 ILE A 19 -3.111 0.858 2.131 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.399 -1.305 3.249 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.701 1.527 3.374 1.00 0.00 C ATOM 0 H ILE A 19 -4.848 -0.351 0.277 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.165 -0.806 0.414 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.326 -0.850 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.051 1.099 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.594 1.253 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.587 -0.837 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.620 -2.370 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.353 -1.167 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.559 2.606 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.766 1.304 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.199 1.148 4.264 1.00 0.00 H new ATOM 222 N GLN A 20 -3.794 -3.556 1.185 1.00 0.00 N ATOM 223 CA GLN A 20 -3.659 -5.000 1.275 1.00 0.00 C ATOM 224 C GLN A 20 -3.001 -5.551 0.008 1.00 0.00 C ATOM 225 O GLN A 20 -2.023 -6.294 0.086 1.00 0.00 O ATOM 226 CB GLN A 20 -5.015 -5.663 1.521 1.00 0.00 C ATOM 227 CG GLN A 20 -5.349 -5.691 3.014 1.00 0.00 C ATOM 228 CD GLN A 20 -5.092 -7.078 3.607 1.00 0.00 C ATOM 229 OE1 GLN A 20 -5.967 -7.926 3.671 1.00 0.00 O ATOM 230 NE2 GLN A 20 -3.847 -7.260 4.037 1.00 0.00 N ATOM 0 H GLN A 20 -4.730 -3.202 1.381 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.018 -5.233 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.792 -5.122 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.003 -6.680 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.747 -4.950 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.393 -5.416 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.163 -6.508 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.576 -8.152 4.451 1.00 0.00 H new ATOM 239 N GLN A 21 -3.562 -5.166 -1.128 1.00 0.00 N ATOM 240 CA GLN A 21 -3.042 -5.613 -2.409 1.00 0.00 C ATOM 241 C GLN A 21 -1.542 -5.328 -2.501 1.00 0.00 C ATOM 242 O GLN A 21 -0.777 -6.158 -2.990 1.00 0.00 O ATOM 243 CB GLN A 21 -3.797 -4.956 -3.567 1.00 0.00 C ATOM 244 CG GLN A 21 -5.310 -5.092 -3.382 1.00 0.00 C ATOM 245 CD GLN A 21 -5.925 -5.938 -4.498 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.482 -7.035 -4.797 1.00 0.00 O ATOM 247 NE2 GLN A 21 -6.967 -5.369 -5.097 1.00 0.00 N ATOM 0 H GLN A 21 -4.372 -4.549 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.193 -6.690 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.528 -3.902 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.499 -5.417 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.522 -5.549 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.769 -4.104 -3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.287 -4.448 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.446 -5.854 -5.856 1.00 0.00 H new ATOM 256 N PHE A 22 -1.165 -4.151 -2.023 1.00 0.00 N ATOM 257 CA PHE A 22 0.230 -3.746 -2.046 1.00 0.00 C ATOM 258 C PHE A 22 1.049 -4.544 -1.029 1.00 0.00 C ATOM 259 O PHE A 22 2.031 -5.191 -1.389 1.00 0.00 O ATOM 260 CB PHE A 22 0.272 -2.264 -1.665 1.00 0.00 C ATOM 261 CG PHE A 22 1.659 -1.630 -1.786 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.060 -1.091 -2.968 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.491 -1.605 -0.710 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.347 -0.502 -3.080 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.779 -1.017 -0.822 1.00 0.00 C ATOM 266 CZ PHE A 22 4.179 -0.477 -2.004 1.00 0.00 C ATOM 0 H PHE A 22 -1.802 -3.465 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 22 0.653 -3.925 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.423 -1.716 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.079 -2.153 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.399 -1.111 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.172 -2.032 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.665 -0.074 -4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.441 -0.999 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.158 -0.028 -2.089 1.00 0.00 H new ATOM 276 N THR A 23 0.615 -4.472 0.220 1.00 0.00 N ATOM 277 CA THR A 23 1.295 -5.180 1.291 1.00 0.00 C ATOM 278 C THR A 23 1.419 -6.667 0.953 1.00 0.00 C ATOM 279 O THR A 23 2.272 -7.363 1.500 1.00 0.00 O ATOM 280 CB THR A 23 0.535 -4.914 2.592 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.818 -5.230 2.274 1.00 0.00 O ATOM 282 CG2 THR A 23 0.496 -3.428 2.953 1.00 0.00 C ATOM 0 H THR A 23 -0.200 -3.934 0.515 1.00 0.00 H new ATOM 0 HA THR A 23 2.317 -4.821 1.416 1.00 0.00 H new ATOM 0 HB THR A 23 0.999 -5.473 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.850 -5.707 1.419 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.055 -3.294 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.513 -3.057 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.002 -2.873 2.156 1.00 0.00 H new ATOM 290 N THR A 24 0.554 -7.111 0.052 1.00 0.00 N ATOM 291 CA THR A 24 0.555 -8.502 -0.365 1.00 0.00 C ATOM 292 C THR A 24 1.439 -8.688 -1.600 1.00 0.00 C ATOM 293 O THR A 24 2.301 -9.565 -1.625 1.00 0.00 O ATOM 294 CB THR A 24 -0.897 -8.931 -0.587 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.415 -9.096 0.730 1.00 0.00 O ATOM 296 CG2 THR A 24 -1.008 -10.324 -1.209 1.00 0.00 C ATOM 0 H THR A 24 -0.152 -6.531 -0.401 1.00 0.00 H new ATOM 0 HA THR A 24 0.985 -9.145 0.404 1.00 0.00 H new ATOM 0 HB THR A 24 -1.395 -8.206 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.811 -8.253 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.059 -10.579 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.505 -10.332 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.540 -11.055 -0.550 1.00 0.00 H new ATOM 304 N ILE A 25 1.194 -7.847 -2.595 1.00 0.00 N ATOM 305 CA ILE A 25 1.957 -7.907 -3.830 1.00 0.00 C ATOM 306 C ILE A 25 3.433 -7.643 -3.526 1.00 0.00 C ATOM 307 O ILE A 25 4.284 -8.496 -3.772 1.00 0.00 O ATOM 308 CB ILE A 25 1.364 -6.958 -4.873 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.004 -7.451 -5.349 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.334 -6.747 -6.037 1.00 0.00 C ATOM 311 CD1 ILE A 25 -0.928 -6.276 -5.674 1.00 0.00 C ATOM 0 H ILE A 25 0.478 -7.121 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 25 1.895 -8.903 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 25 1.210 -5.987 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.119 -8.077 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.459 -8.073 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.888 -6.068 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.263 -6.318 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.543 -7.704 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.893 -6.654 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.068 -5.666 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.482 -5.670 -6.462 1.00 0.00 H new ATOM 323 N THR A 26 3.692 -6.457 -2.996 1.00 0.00 N ATOM 324 CA THR A 26 5.050 -6.069 -2.656 1.00 0.00 C ATOM 325 C THR A 26 5.546 -6.868 -1.449 1.00 0.00 C ATOM 326 O THR A 26 6.532 -7.598 -1.546 1.00 0.00 O ATOM 327 CB THR A 26 5.068 -4.556 -2.431 1.00 0.00 C ATOM 328 OG1 THR A 26 4.412 -4.383 -1.178 1.00 0.00 O ATOM 329 CG2 THR A 26 4.177 -3.806 -3.424 1.00 0.00 C ATOM 0 H THR A 26 2.984 -5.751 -2.794 1.00 0.00 H new ATOM 0 HA THR A 26 5.741 -6.300 -3.466 1.00 0.00 H new ATOM 0 HB THR A 26 6.091 -4.189 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.453 -4.556 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.226 -2.736 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.522 -3.998 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.147 -4.149 -3.320 1.00 0.00 H new ATOM 337 N GLY A 27 4.842 -6.703 -0.340 1.00 0.00 N ATOM 338 CA GLY A 27 5.198 -7.400 0.885 1.00 0.00 C ATOM 339 C GLY A 27 5.599 -6.411 1.981 1.00 0.00 C ATOM 340 O GLY A 27 6.152 -6.806 3.006 1.00 0.00 O ATOM 0 H GLY A 27 4.026 -6.096 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.355 -8.002 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.022 -8.087 0.691 1.00 0.00 H new ATOM 344 N ALA A 28 5.305 -5.144 1.728 1.00 0.00 N ATOM 345 CA ALA A 28 5.628 -4.096 2.681 1.00 0.00 C ATOM 346 C ALA A 28 4.539 -4.034 3.753 1.00 0.00 C ATOM 347 O ALA A 28 3.600 -4.828 3.736 1.00 0.00 O ATOM 348 CB ALA A 28 5.795 -2.767 1.941 1.00 0.00 C ATOM 0 H ALA A 28 4.847 -4.820 0.877 1.00 0.00 H new ATOM 0 HA ALA A 28 6.572 -4.311 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.037 -1.981 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.600 -2.855 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.866 -2.517 1.428 1.00 0.00 H new ATOM 354 N SER A 29 4.701 -3.083 4.661 1.00 0.00 N ATOM 355 CA SER A 29 3.742 -2.907 5.740 1.00 0.00 C ATOM 356 C SER A 29 2.594 -2.008 5.277 1.00 0.00 C ATOM 357 O SER A 29 2.724 -1.287 4.289 1.00 0.00 O ATOM 358 CB SER A 29 4.413 -2.316 6.981 1.00 0.00 C ATOM 359 OG SER A 29 4.757 -3.320 7.932 1.00 0.00 O ATOM 0 H SER A 29 5.481 -2.426 4.672 1.00 0.00 H new ATOM 0 HA SER A 29 3.343 -3.885 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.311 -1.775 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.743 -1.592 7.445 1.00 0.00 H new ATOM 0 HG SER A 29 5.184 -2.902 8.709 1.00 0.00 H new ATOM 365 N GLU A 30 1.495 -2.079 6.015 1.00 0.00 N ATOM 366 CA GLU A 30 0.325 -1.281 5.693 1.00 0.00 C ATOM 367 C GLU A 30 0.717 0.188 5.515 1.00 0.00 C ATOM 368 O GLU A 30 0.554 0.751 4.434 1.00 0.00 O ATOM 369 CB GLU A 30 -0.755 -1.434 6.765 1.00 0.00 C ATOM 370 CG GLU A 30 -1.965 -2.196 6.221 1.00 0.00 C ATOM 371 CD GLU A 30 -2.560 -3.116 7.289 1.00 0.00 C ATOM 372 OE1 GLU A 30 -1.972 -4.199 7.497 1.00 0.00 O ATOM 373 OE2 GLU A 30 -3.589 -2.714 7.874 1.00 0.00 O ATOM 0 H GLU A 30 1.391 -2.677 6.835 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.090 -1.643 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.345 -1.962 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.068 -0.450 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.722 -1.489 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.668 -2.785 5.353 1.00 0.00 H new ATOM 380 N SER A 31 1.226 0.766 6.593 1.00 0.00 N ATOM 381 CA SER A 31 1.642 2.158 6.570 1.00 0.00 C ATOM 382 C SER A 31 2.405 2.454 5.277 1.00 0.00 C ATOM 383 O SER A 31 2.155 3.466 4.623 1.00 0.00 O ATOM 384 CB SER A 31 2.508 2.494 7.785 1.00 0.00 C ATOM 385 OG SER A 31 1.884 2.110 9.008 1.00 0.00 O ATOM 0 H SER A 31 1.360 0.296 7.488 1.00 0.00 H new ATOM 0 HA SER A 31 0.750 2.783 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.470 1.990 7.695 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.710 3.565 7.801 1.00 0.00 H new ATOM 0 HG SER A 31 2.469 2.340 9.760 1.00 0.00 H new ATOM 391 N VAL A 32 3.319 1.554 4.947 1.00 0.00 N ATOM 392 CA VAL A 32 4.119 1.706 3.744 1.00 0.00 C ATOM 393 C VAL A 32 3.197 1.743 2.524 1.00 0.00 C ATOM 394 O VAL A 32 3.193 2.717 1.773 1.00 0.00 O ATOM 395 CB VAL A 32 5.167 0.594 3.667 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.876 0.600 2.311 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.174 0.710 4.813 1.00 0.00 C ATOM 0 H VAL A 32 3.523 0.716 5.492 1.00 0.00 H new ATOM 0 HA VAL A 32 4.666 2.649 3.767 1.00 0.00 H new ATOM 0 HB VAL A 32 4.650 -0.360 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.616 -0.200 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.145 0.446 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.373 1.559 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.908 -0.092 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.681 1.673 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.651 0.632 5.766 1.00 0.00 H new ATOM 407 N GLY A 33 2.436 0.670 2.364 1.00 0.00 N ATOM 408 CA GLY A 33 1.512 0.567 1.248 1.00 0.00 C ATOM 409 C GLY A 33 0.608 1.799 1.170 1.00 0.00 C ATOM 410 O GLY A 33 0.121 2.149 0.096 1.00 0.00 O ATOM 0 H GLY A 33 2.441 -0.136 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.070 0.461 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.902 -0.330 1.358 1.00 0.00 H new ATOM 414 N LYS A 34 0.411 2.423 2.322 1.00 0.00 N ATOM 415 CA LYS A 34 -0.426 3.609 2.397 1.00 0.00 C ATOM 416 C LYS A 34 0.358 4.815 1.878 1.00 0.00 C ATOM 417 O LYS A 34 -0.165 5.612 1.100 1.00 0.00 O ATOM 418 CB LYS A 34 -0.968 3.792 3.816 1.00 0.00 C ATOM 419 CG LYS A 34 -2.110 4.810 3.839 1.00 0.00 C ATOM 420 CD LYS A 34 -2.553 5.106 5.274 1.00 0.00 C ATOM 421 CE LYS A 34 -4.078 5.089 5.392 1.00 0.00 C ATOM 422 NZ LYS A 34 -4.542 6.184 6.273 1.00 0.00 N ATOM 0 H LYS A 34 0.816 2.130 3.211 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.302 3.499 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.321 2.835 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.166 4.124 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.789 5.733 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.954 4.427 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.124 4.367 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.172 6.079 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.526 5.194 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.407 4.129 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.579 6.158 6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.129 6.066 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.244 7.098 5.877 1.00 0.00 H new ATOM 436 N HIS A 35 1.601 4.911 2.328 1.00 0.00 N ATOM 437 CA HIS A 35 2.462 6.007 1.918 1.00 0.00 C ATOM 438 C HIS A 35 2.707 5.931 0.410 1.00 0.00 C ATOM 439 O HIS A 35 2.814 6.959 -0.258 1.00 0.00 O ATOM 440 CB HIS A 35 3.759 6.011 2.729 1.00 0.00 C ATOM 441 CG HIS A 35 4.775 7.025 2.259 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.913 8.273 2.841 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.700 6.961 1.259 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.880 8.923 2.210 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.366 8.109 1.229 1.00 0.00 N ATOM 0 H HIS A 35 2.032 4.248 2.972 1.00 0.00 H new ATOM 0 HA HIS A 35 1.969 6.957 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.521 6.208 3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.206 5.018 2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.863 6.119 0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.223 9.922 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.117 8.344 0.580 1.00 0.00 H new ATOM 453 N MET A 36 2.787 4.704 -0.083 1.00 0.00 N ATOM 454 CA MET A 36 3.017 4.481 -1.501 1.00 0.00 C ATOM 455 C MET A 36 1.759 4.787 -2.315 1.00 0.00 C ATOM 456 O MET A 36 1.844 5.325 -3.418 1.00 0.00 O ATOM 457 CB MET A 36 3.431 3.025 -1.728 1.00 0.00 C ATOM 458 CG MET A 36 4.508 2.599 -0.729 1.00 0.00 C ATOM 459 SD MET A 36 6.106 2.585 -1.524 1.00 0.00 S ATOM 460 CE MET A 36 6.152 4.253 -2.157 1.00 0.00 C ATOM 0 H MET A 36 2.697 3.854 0.474 1.00 0.00 H new ATOM 0 HA MET A 36 3.812 5.150 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.561 2.376 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.805 2.904 -2.745 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.520 3.284 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.280 1.608 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.165 4.492 -2.480 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.471 4.340 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.847 4.948 -1.374 1.00 0.00 H new ATOM 470 N LEU A 37 0.619 4.431 -1.740 1.00 0.00 N ATOM 471 CA LEU A 37 -0.655 4.661 -2.399 1.00 0.00 C ATOM 472 C LEU A 37 -0.984 6.155 -2.357 1.00 0.00 C ATOM 473 O LEU A 37 -1.298 6.754 -3.384 1.00 0.00 O ATOM 474 CB LEU A 37 -1.742 3.775 -1.788 1.00 0.00 C ATOM 475 CG LEU A 37 -1.786 2.328 -2.284 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.692 1.472 -1.397 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.199 2.266 -3.755 1.00 0.00 C ATOM 0 H LEU A 37 0.552 3.985 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.597 4.376 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.608 3.763 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.711 4.235 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.781 1.912 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.706 0.448 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.313 1.480 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.704 1.877 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.223 1.227 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.189 2.706 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.480 2.821 -4.358 1.00 0.00 H new ATOM 489 N GLU A 38 -0.899 6.713 -1.158 1.00 0.00 N ATOM 490 CA GLU A 38 -1.183 8.126 -0.969 1.00 0.00 C ATOM 491 C GLU A 38 -0.210 8.977 -1.786 1.00 0.00 C ATOM 492 O GLU A 38 -0.475 10.149 -2.050 1.00 0.00 O ATOM 493 CB GLU A 38 -1.130 8.502 0.513 1.00 0.00 C ATOM 494 CG GLU A 38 -2.535 8.547 1.118 1.00 0.00 C ATOM 495 CD GLU A 38 -3.178 9.920 0.909 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.935 10.797 1.766 1.00 0.00 O ATOM 497 OE2 GLU A 38 -3.897 10.061 -0.104 1.00 0.00 O ATOM 0 H GLU A 38 -0.638 6.213 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.194 8.324 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.520 7.778 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.649 9.473 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.157 7.777 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.483 8.324 2.184 1.00 0.00 H new ATOM 504 N ALA A 39 0.897 8.355 -2.164 1.00 0.00 N ATOM 505 CA ALA A 39 1.912 9.042 -2.945 1.00 0.00 C ATOM 506 C ALA A 39 1.733 8.693 -4.424 1.00 0.00 C ATOM 507 O ALA A 39 2.595 8.999 -5.247 1.00 0.00 O ATOM 508 CB ALA A 39 3.300 8.667 -2.422 1.00 0.00 C ATOM 0 H ALA A 39 1.113 7.383 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 39 1.807 10.122 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.061 9.182 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.386 8.961 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.443 7.590 -2.509 1.00 0.00 H new ATOM 514 N CYS A 40 0.608 8.056 -4.717 1.00 0.00 N ATOM 515 CA CYS A 40 0.305 7.662 -6.083 1.00 0.00 C ATOM 516 C CYS A 40 -1.201 7.813 -6.303 1.00 0.00 C ATOM 517 O CYS A 40 -1.821 6.984 -6.967 1.00 0.00 O ATOM 518 CB CYS A 40 0.786 6.241 -6.381 1.00 0.00 C ATOM 519 SG CYS A 40 2.529 6.275 -6.939 1.00 0.00 S ATOM 0 H CYS A 40 -0.104 7.803 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 40 0.839 8.309 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.693 5.622 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.158 5.789 -7.149 1.00 0.00 H new ATOM 0 HG CYS A 40 2.577 6.620 -8.191 1.00 0.00 H new ATOM 525 N ASN A 41 -1.747 8.877 -5.733 1.00 0.00 N ATOM 526 CA ASN A 41 -3.169 9.147 -5.858 1.00 0.00 C ATOM 527 C ASN A 41 -3.956 7.881 -5.513 1.00 0.00 C ATOM 528 O ASN A 41 -4.965 7.580 -6.149 1.00 0.00 O ATOM 529 CB ASN A 41 -3.529 9.552 -7.289 1.00 0.00 C ATOM 530 CG ASN A 41 -3.259 11.039 -7.523 1.00 0.00 C ATOM 531 OD1 ASN A 41 -2.130 11.476 -7.671 1.00 0.00 O ATOM 532 ND2 ASN A 41 -4.356 11.791 -7.547 1.00 0.00 N ATOM 0 H ASN A 41 -1.230 9.563 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.419 9.962 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.949 8.958 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.580 9.336 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.281 12.797 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.272 11.361 -7.416 1.00 0.00 H new ATOM 539 N ASN A 42 -3.466 7.174 -4.505 1.00 0.00 N ATOM 540 CA ASN A 42 -4.111 5.948 -4.068 1.00 0.00 C ATOM 541 C ASN A 42 -4.238 4.992 -5.255 1.00 0.00 C ATOM 542 O ASN A 42 -5.342 4.588 -5.616 1.00 0.00 O ATOM 543 CB ASN A 42 -5.517 6.227 -3.532 1.00 0.00 C ATOM 544 CG ASN A 42 -5.612 7.637 -2.948 1.00 0.00 C ATOM 545 OD1 ASN A 42 -5.769 8.620 -3.654 1.00 0.00 O ATOM 546 ND2 ASN A 42 -5.509 7.682 -1.623 1.00 0.00 N ATOM 0 H ASN A 42 -2.630 7.427 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.503 5.511 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.245 6.112 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.770 5.494 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.560 8.578 -1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.379 6.821 -1.092 1.00 0.00 H new ATOM 553 N ASN A 43 -3.092 4.658 -5.830 1.00 0.00 N ATOM 554 CA ASN A 43 -3.061 3.757 -6.969 1.00 0.00 C ATOM 555 C ASN A 43 -2.076 2.620 -6.688 1.00 0.00 C ATOM 556 O ASN A 43 -0.884 2.859 -6.501 1.00 0.00 O ATOM 557 CB ASN A 43 -2.597 4.483 -8.233 1.00 0.00 C ATOM 558 CG ASN A 43 -3.203 3.845 -9.486 1.00 0.00 C ATOM 559 OD1 ASN A 43 -3.885 4.483 -10.271 1.00 0.00 O ATOM 560 ND2 ASN A 43 -2.917 2.554 -9.627 1.00 0.00 N ATOM 0 H ASN A 43 -2.178 4.995 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.070 3.374 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.885 5.533 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.509 4.453 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.275 2.037 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.340 2.081 -8.932 1.00 0.00 H new ATOM 567 N LEU A 44 -2.611 1.408 -6.668 1.00 0.00 N ATOM 568 CA LEU A 44 -1.794 0.234 -6.413 1.00 0.00 C ATOM 569 C LEU A 44 -0.809 0.043 -7.567 1.00 0.00 C ATOM 570 O LEU A 44 0.403 0.121 -7.373 1.00 0.00 O ATOM 571 CB LEU A 44 -2.678 -0.987 -6.150 1.00 0.00 C ATOM 572 CG LEU A 44 -1.946 -2.317 -5.960 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.515 -2.503 -4.504 1.00 0.00 C ATOM 574 CD2 LEU A 44 -2.795 -3.487 -6.461 1.00 0.00 C ATOM 0 H LEU A 44 -3.600 1.214 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.202 0.371 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.275 -0.793 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.373 -1.093 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.039 -2.296 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.997 -3.456 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.846 -1.692 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.394 -2.494 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.251 -4.420 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.732 -3.521 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.008 -3.354 -7.522 1.00 0.00 H new ATOM 586 N GLU A 45 -1.366 -0.204 -8.744 1.00 0.00 N ATOM 587 CA GLU A 45 -0.551 -0.406 -9.930 1.00 0.00 C ATOM 588 C GLU A 45 0.651 0.540 -9.916 1.00 0.00 C ATOM 589 O GLU A 45 1.790 0.104 -10.079 1.00 0.00 O ATOM 590 CB GLU A 45 -1.380 -0.221 -11.203 1.00 0.00 C ATOM 591 CG GLU A 45 -2.182 -1.483 -11.524 1.00 0.00 C ATOM 592 CD GLU A 45 -1.725 -2.102 -12.846 1.00 0.00 C ATOM 593 OE1 GLU A 45 -0.497 -2.284 -12.993 1.00 0.00 O ATOM 594 OE2 GLU A 45 -2.613 -2.379 -13.680 1.00 0.00 O ATOM 0 H GLU A 45 -2.372 -0.269 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.181 -1.431 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.058 0.623 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.722 0.018 -12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.063 -2.208 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.243 -1.239 -11.580 1.00 0.00 H new ATOM 601 N MET A 46 0.357 1.816 -9.719 1.00 0.00 N ATOM 602 CA MET A 46 1.400 2.827 -9.682 1.00 0.00 C ATOM 603 C MET A 46 2.321 2.621 -8.477 1.00 0.00 C ATOM 604 O MET A 46 3.534 2.495 -8.633 1.00 0.00 O ATOM 605 CB MET A 46 0.763 4.216 -9.606 1.00 0.00 C ATOM 606 CG MET A 46 1.451 5.189 -10.566 1.00 0.00 C ATOM 607 SD MET A 46 1.335 6.854 -9.935 1.00 0.00 S ATOM 608 CE MET A 46 -0.439 7.052 -9.906 1.00 0.00 C ATOM 0 H MET A 46 -0.589 2.173 -9.583 1.00 0.00 H new ATOM 0 HA MET A 46 1.996 2.740 -10.590 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.297 4.147 -9.850 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.831 4.596 -8.587 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.497 4.911 -10.691 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.986 5.131 -11.550 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.685 8.101 -9.742 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.857 6.726 -10.858 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.859 6.450 -9.100 1.00 0.00 H new ATOM 618 N ALA A 47 1.708 2.594 -7.303 1.00 0.00 N ATOM 619 CA ALA A 47 2.457 2.405 -6.072 1.00 0.00 C ATOM 620 C ALA A 47 3.422 1.230 -6.243 1.00 0.00 C ATOM 621 O ALA A 47 4.620 1.366 -6.000 1.00 0.00 O ATOM 622 CB ALA A 47 1.485 2.197 -4.909 1.00 0.00 C ATOM 0 H ALA A 47 0.701 2.700 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 47 3.052 3.290 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.047 2.055 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.842 3.072 -4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.873 1.316 -5.100 1.00 0.00 H new ATOM 628 N VAL A 48 2.864 0.103 -6.659 1.00 0.00 N ATOM 629 CA VAL A 48 3.660 -1.095 -6.865 1.00 0.00 C ATOM 630 C VAL A 48 4.806 -0.781 -7.829 1.00 0.00 C ATOM 631 O VAL A 48 5.974 -0.976 -7.495 1.00 0.00 O ATOM 632 CB VAL A 48 2.768 -2.239 -7.350 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.597 -3.489 -7.655 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.668 -2.546 -6.332 1.00 0.00 C ATOM 0 H VAL A 48 1.870 -0.006 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 48 4.105 -1.424 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 48 2.288 -1.921 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.939 -4.287 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.326 -3.261 -8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.117 -3.810 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.048 -3.363 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.120 -2.834 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.051 -1.660 -6.185 1.00 0.00 H new ATOM 644 N THR A 49 4.433 -0.299 -9.005 1.00 0.00 N ATOM 645 CA THR A 49 5.415 0.044 -10.019 1.00 0.00 C ATOM 646 C THR A 49 6.446 1.023 -9.454 1.00 0.00 C ATOM 647 O THR A 49 7.615 0.989 -9.836 1.00 0.00 O ATOM 648 CB THR A 49 4.666 0.586 -11.238 1.00 0.00 C ATOM 649 OG1 THR A 49 3.946 -0.539 -11.733 1.00 0.00 O ATOM 650 CG2 THR A 49 5.607 0.960 -12.385 1.00 0.00 C ATOM 0 H THR A 49 3.464 -0.138 -9.278 1.00 0.00 H new ATOM 0 HA THR A 49 5.983 -0.832 -10.332 1.00 0.00 H new ATOM 0 HB THR A 49 4.084 1.460 -10.946 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.069 -0.584 -11.297 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.024 1.339 -13.225 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.302 1.729 -12.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.166 0.078 -12.699 1.00 0.00 H new ATOM 658 N MET A 50 5.975 1.873 -8.553 1.00 0.00 N ATOM 659 CA MET A 50 6.841 2.860 -7.931 1.00 0.00 C ATOM 660 C MET A 50 7.765 2.207 -6.901 1.00 0.00 C ATOM 661 O MET A 50 8.986 2.330 -6.990 1.00 0.00 O ATOM 662 CB MET A 50 5.988 3.930 -7.247 1.00 0.00 C ATOM 663 CG MET A 50 5.178 4.724 -8.274 1.00 0.00 C ATOM 664 SD MET A 50 5.550 6.464 -8.131 1.00 0.00 S ATOM 665 CE MET A 50 5.442 6.660 -6.361 1.00 0.00 C ATOM 0 H MET A 50 5.005 1.898 -8.239 1.00 0.00 H new ATOM 0 HA MET A 50 7.457 3.316 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.314 3.460 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.630 4.607 -6.683 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.410 4.376 -9.280 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.112 4.557 -8.117 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.905 7.580 -6.129 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.909 5.811 -5.933 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.446 6.709 -5.938 1.00 0.00 H new ATOM 675 N PHE A 51 7.147 1.528 -5.946 1.00 0.00 N ATOM 676 CA PHE A 51 7.899 0.856 -4.900 1.00 0.00 C ATOM 677 C PHE A 51 8.824 -0.211 -5.488 1.00 0.00 C ATOM 678 O PHE A 51 10.013 -0.250 -5.172 1.00 0.00 O ATOM 679 CB PHE A 51 6.879 0.179 -3.981 1.00 0.00 C ATOM 680 CG PHE A 51 7.505 -0.720 -2.913 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.074 -0.168 -1.808 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.491 -2.071 -3.068 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.655 -1.003 -0.816 1.00 0.00 C ATOM 684 CE2 PHE A 51 8.072 -2.906 -2.077 1.00 0.00 C ATOM 685 CZ PHE A 51 8.641 -2.354 -0.972 1.00 0.00 C ATOM 0 H PHE A 51 6.134 1.429 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 51 8.516 1.577 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.281 0.947 -3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.197 -0.416 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.084 0.905 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.038 -2.509 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.107 -0.565 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.062 -3.979 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.082 -2.989 -0.218 1.00 0.00 H new ATOM 695 N LEU A 52 8.245 -1.051 -6.333 1.00 0.00 N ATOM 696 CA LEU A 52 9.003 -2.115 -6.969 1.00 0.00 C ATOM 697 C LEU A 52 10.255 -1.524 -7.621 1.00 0.00 C ATOM 698 O LEU A 52 11.364 -2.001 -7.388 1.00 0.00 O ATOM 699 CB LEU A 52 8.116 -2.899 -7.938 1.00 0.00 C ATOM 700 CG LEU A 52 7.191 -3.941 -7.307 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.373 -4.668 -8.377 1.00 0.00 C ATOM 702 CD2 LEU A 52 7.980 -4.915 -6.429 1.00 0.00 C ATOM 0 H LEU A 52 7.259 -1.016 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 52 9.341 -2.838 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.504 -2.189 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.758 -3.402 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 52 6.485 -3.422 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.724 -5.403 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.765 -3.946 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.047 -5.173 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.299 -5.645 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.724 -5.431 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.480 -4.364 -5.632 1.00 0.00 H new ATOM 714 N ASP A 53 10.034 -0.494 -8.425 1.00 0.00 N ATOM 715 CA ASP A 53 11.131 0.166 -9.112 1.00 0.00 C ATOM 716 C ASP A 53 11.743 1.223 -8.190 1.00 0.00 C ATOM 717 O ASP A 53 11.776 2.404 -8.530 1.00 0.00 O ATOM 718 CB ASP A 53 10.642 0.871 -10.379 1.00 0.00 C ATOM 719 CG ASP A 53 10.099 -0.058 -11.467 1.00 0.00 C ATOM 720 OD1 ASP A 53 10.922 -0.503 -12.296 1.00 0.00 O ATOM 721 OD2 ASP A 53 8.873 -0.301 -11.446 1.00 0.00 O ATOM 0 H ASP A 53 9.112 -0.101 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 53 11.866 -0.593 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.861 1.579 -10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.466 1.451 -10.795 1.00 0.00 H new ATOM 726 N GLY A 54 12.212 0.759 -7.041 1.00 0.00 N ATOM 727 CA GLY A 54 12.821 1.649 -6.068 1.00 0.00 C ATOM 728 C GLY A 54 14.240 2.034 -6.489 1.00 0.00 C ATOM 729 O GLY A 54 15.191 1.835 -5.734 1.00 0.00 O ATOM 0 H GLY A 54 12.182 -0.222 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.213 2.548 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.846 1.164 -5.092 1.00 0.00 H new ATOM 733 N GLY A 55 14.339 2.577 -7.693 1.00 0.00 N ATOM 734 CA GLY A 55 15.627 2.992 -8.224 1.00 0.00 C ATOM 735 C GLY A 55 15.784 2.557 -9.682 1.00 0.00 C ATOM 736 O GLY A 55 14.810 2.524 -10.433 1.00 0.00 O ATOM 0 H GLY A 55 13.548 2.739 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.722 4.075 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.428 2.561 -7.624 1.00 0.00 H new ATOM 740 N GLY A 56 17.018 2.233 -10.040 1.00 0.00 N ATOM 741 CA GLY A 56 17.316 1.801 -11.395 1.00 0.00 C ATOM 742 C GLY A 56 17.986 0.426 -11.397 1.00 0.00 C ATOM 743 O GLY A 56 19.127 0.288 -11.835 1.00 0.00 O ATOM 0 H GLY A 56 17.823 2.261 -9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.396 1.762 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.969 2.528 -11.877 1.00 0.00 H new ATOM 747 N SER A 57 17.248 -0.557 -10.902 1.00 0.00 N ATOM 748 CA SER A 57 17.757 -1.917 -10.842 1.00 0.00 C ATOM 749 C SER A 57 16.620 -2.887 -10.512 1.00 0.00 C ATOM 750 O SER A 57 16.121 -2.903 -9.388 1.00 0.00 O ATOM 751 CB SER A 57 18.877 -2.041 -9.807 1.00 0.00 C ATOM 752 OG SER A 57 18.376 -2.032 -8.474 1.00 0.00 O ATOM 0 H SER A 57 16.302 -0.439 -10.539 1.00 0.00 H new ATOM 0 HA SER A 57 18.171 -2.170 -11.818 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.430 -2.964 -9.980 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.581 -1.219 -9.935 1.00 0.00 H new ATOM 0 HG SER A 57 17.408 -2.184 -8.487 1.00 0.00 H new ATOM 758 N GLY A 58 16.245 -3.671 -11.512 1.00 0.00 N ATOM 759 CA GLY A 58 15.177 -4.641 -11.342 1.00 0.00 C ATOM 760 C GLY A 58 14.918 -5.405 -12.642 1.00 0.00 C ATOM 761 O GLY A 58 15.367 -4.991 -13.709 1.00 0.00 O ATOM 0 H GLY A 58 16.662 -3.654 -12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.441 -5.342 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.266 -4.132 -11.027 1.00 0.00 H new ATOM 765 N PRO A 59 14.176 -6.537 -12.505 1.00 0.00 N ATOM 766 CA PRO A 59 13.852 -7.362 -13.656 1.00 0.00 C ATOM 767 C PRO A 59 12.763 -6.710 -14.510 1.00 0.00 C ATOM 768 O PRO A 59 12.176 -5.705 -14.112 1.00 0.00 O ATOM 769 CB PRO A 59 13.427 -8.700 -13.073 1.00 0.00 C ATOM 770 CG PRO A 59 13.083 -8.430 -11.617 1.00 0.00 C ATOM 771 CD PRO A 59 13.627 -7.057 -11.257 1.00 0.00 C ATOM 0 HA PRO A 59 14.696 -7.487 -14.334 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.568 -9.104 -13.609 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.228 -9.434 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.004 -8.465 -11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.519 -9.194 -10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.841 -6.409 -10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.394 -7.125 -10.485 1.00 0.00 H new ATOM 779 N SER A 60 12.527 -7.307 -15.669 1.00 0.00 N ATOM 780 CA SER A 60 11.520 -6.797 -16.583 1.00 0.00 C ATOM 781 C SER A 60 11.789 -5.322 -16.888 1.00 0.00 C ATOM 782 O SER A 60 11.211 -4.438 -16.257 1.00 0.00 O ATOM 783 CB SER A 60 10.113 -6.971 -16.006 1.00 0.00 C ATOM 784 OG SER A 60 9.203 -7.496 -16.968 1.00 0.00 O ATOM 0 H SER A 60 13.017 -8.140 -15.996 1.00 0.00 H new ATOM 0 HA SER A 60 11.577 -7.370 -17.509 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.154 -7.638 -15.145 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.747 -6.009 -15.648 1.00 0.00 H new ATOM 0 HG SER A 60 8.317 -7.594 -16.561 1.00 0.00 H new ATOM 790 N SER A 61 12.668 -5.102 -17.855 1.00 0.00 N ATOM 791 CA SER A 61 13.021 -3.749 -18.251 1.00 0.00 C ATOM 792 C SER A 61 13.618 -2.994 -17.062 1.00 0.00 C ATOM 793 O SER A 61 12.892 -2.358 -16.299 1.00 0.00 O ATOM 794 CB SER A 61 11.804 -3.000 -18.799 1.00 0.00 C ATOM 795 OG SER A 61 11.214 -3.677 -19.906 1.00 0.00 O ATOM 0 H SER A 61 13.146 -5.837 -18.376 1.00 0.00 H new ATOM 0 HA SER A 61 13.765 -3.809 -19.045 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.063 -2.885 -18.008 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.103 -1.997 -19.105 1.00 0.00 H new ATOM 0 HG SER A 61 10.440 -3.168 -20.226 1.00 0.00 H new ATOM 801 N GLY A 62 14.934 -3.090 -16.941 1.00 0.00 N ATOM 802 CA GLY A 62 15.636 -2.424 -15.857 1.00 0.00 C ATOM 803 C GLY A 62 17.151 -2.547 -16.029 1.00 0.00 C ATOM 804 O GLY A 62 17.795 -1.644 -16.562 1.00 0.00 O ATOM 0 H GLY A 62 15.532 -3.619 -17.576 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.354 -1.372 -15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.338 -2.860 -14.904 1.00 0.00 H new TER 808 GLY A 62