USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 761 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 42 MET CE :methyl -116:sc= -1.17 (180deg=-6.13!) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 MET CE :methyl 135:sc= -2.7! (180deg=0) USER MOD Set 2.2: A 26 CYS SG : rot 168:sc= -1.84! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.513 K(o=-0.51,f=0.021) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.023) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -176:sc= -0.721 USER MOD Single : A 25 SER OG : rot 23:sc= 0.205 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 25:sc= 1.3 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 61 GLN : amide:sc= -0.113 K(o=-0.11,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.0137 (180deg=0.0112) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 15:sc= 0.694 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 89 SER OG : rot -170:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.76 (180deg=-1.81!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 29:sc= 0.856 USER MOD Single : A 103 SER OG : rot 180:sc= -0.264! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.470 40.704 -9.672 1.00 0.00 N ATOM 2 CA GLY A 1 -11.443 41.711 -9.868 1.00 0.00 C ATOM 3 C GLY A 1 -10.048 41.169 -9.631 1.00 0.00 C ATOM 4 O GLY A 1 -9.249 41.064 -10.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.405 41.124 -9.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.315 39.917 -10.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.426 40.349 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.510 42.101 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.624 42.547 -9.192 1.00 0.00 H new ATOM 8 N SER A 2 -9.751 40.827 -8.382 1.00 0.00 N ATOM 9 CA SER A 2 -8.440 40.299 -8.024 1.00 0.00 C ATOM 10 C SER A 2 -8.537 38.830 -7.621 1.00 0.00 C ATOM 11 O SER A 2 -9.457 38.431 -6.907 1.00 0.00 O ATOM 12 CB SER A 2 -7.832 41.114 -6.881 1.00 0.00 C ATOM 13 OG SER A 2 -8.713 41.173 -5.773 1.00 0.00 O ATOM 0 H SER A 2 -10.401 40.906 -7.600 1.00 0.00 H new ATOM 0 HA SER A 2 -7.794 40.376 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.886 40.667 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.610 42.123 -7.228 1.00 0.00 H new ATOM 0 HG SER A 2 -8.301 41.698 -5.055 1.00 0.00 H new ATOM 19 N SER A 3 -7.581 38.032 -8.084 1.00 0.00 N ATOM 20 CA SER A 3 -7.560 36.606 -7.776 1.00 0.00 C ATOM 21 C SER A 3 -6.175 36.173 -7.306 1.00 0.00 C ATOM 22 O SER A 3 -5.166 36.487 -7.936 1.00 0.00 O ATOM 23 CB SER A 3 -7.972 35.791 -9.004 1.00 0.00 C ATOM 24 OG SER A 3 -8.403 34.493 -8.633 1.00 0.00 O ATOM 0 H SER A 3 -6.811 38.348 -8.674 1.00 0.00 H new ATOM 0 HA SER A 3 -8.272 36.422 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.773 36.306 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.131 35.715 -9.693 1.00 0.00 H new ATOM 0 HG SER A 3 -8.662 33.993 -9.435 1.00 0.00 H new ATOM 30 N GLY A 4 -6.135 35.448 -6.191 1.00 0.00 N ATOM 31 CA GLY A 4 -4.870 34.983 -5.654 1.00 0.00 C ATOM 32 C GLY A 4 -4.691 33.486 -5.806 1.00 0.00 C ATOM 33 O GLY A 4 -5.478 32.703 -5.275 1.00 0.00 O ATOM 0 H GLY A 4 -6.956 35.175 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.053 35.497 -6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.807 35.248 -4.599 1.00 0.00 H new ATOM 37 N SER A 5 -3.653 33.086 -6.535 1.00 0.00 N ATOM 38 CA SER A 5 -3.377 31.672 -6.760 1.00 0.00 C ATOM 39 C SER A 5 -2.863 31.010 -5.486 1.00 0.00 C ATOM 40 O SER A 5 -1.810 31.376 -4.963 1.00 0.00 O ATOM 41 CB SER A 5 -2.353 31.504 -7.885 1.00 0.00 C ATOM 42 OG SER A 5 -2.991 31.415 -9.146 1.00 0.00 O ATOM 0 H SER A 5 -2.990 33.721 -6.979 1.00 0.00 H new ATOM 0 HA SER A 5 -4.309 31.186 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.663 32.348 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.760 30.606 -7.710 1.00 0.00 H new ATOM 0 HG SER A 5 -2.315 31.310 -9.848 1.00 0.00 H new ATOM 48 N SER A 6 -3.614 30.031 -4.991 1.00 0.00 N ATOM 49 CA SER A 6 -3.238 29.319 -3.775 1.00 0.00 C ATOM 50 C SER A 6 -2.054 28.392 -4.034 1.00 0.00 C ATOM 51 O SER A 6 -1.081 28.385 -3.281 1.00 0.00 O ATOM 52 CB SER A 6 -4.425 28.513 -3.243 1.00 0.00 C ATOM 53 OG SER A 6 -4.046 27.724 -2.129 1.00 0.00 O ATOM 0 H SER A 6 -4.486 29.713 -5.413 1.00 0.00 H new ATOM 0 HA SER A 6 -2.944 30.056 -3.027 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.229 29.190 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.815 27.870 -4.032 1.00 0.00 H new ATOM 0 HG SER A 6 -4.822 27.220 -1.806 1.00 0.00 H new ATOM 59 N GLY A 7 -2.146 27.609 -5.104 1.00 0.00 N ATOM 60 CA GLY A 7 -1.077 26.688 -5.444 1.00 0.00 C ATOM 61 C GLY A 7 -1.091 25.440 -4.582 1.00 0.00 C ATOM 62 O GLY A 7 -1.015 25.523 -3.356 1.00 0.00 O ATOM 0 H GLY A 7 -2.942 27.596 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.167 26.403 -6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.117 27.193 -5.332 1.00 0.00 H new ATOM 66 N HIS A 8 -1.191 24.281 -5.225 1.00 0.00 N ATOM 67 CA HIS A 8 -1.216 23.010 -4.509 1.00 0.00 C ATOM 68 C HIS A 8 -0.488 21.927 -5.299 1.00 0.00 C ATOM 69 O HIS A 8 -0.919 21.543 -6.387 1.00 0.00 O ATOM 70 CB HIS A 8 -2.658 22.580 -4.240 1.00 0.00 C ATOM 71 CG HIS A 8 -2.787 21.562 -3.149 1.00 0.00 C ATOM 72 ND1 HIS A 8 -2.749 21.885 -1.809 1.00 0.00 N ATOM 73 CD2 HIS A 8 -2.955 20.220 -3.206 1.00 0.00 C ATOM 74 CE1 HIS A 8 -2.886 20.786 -1.089 1.00 0.00 C ATOM 75 NE2 HIS A 8 -3.014 19.762 -1.913 1.00 0.00 N ATOM 0 H HIS A 8 -1.256 24.195 -6.239 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.703 23.147 -3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.247 23.459 -3.977 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.084 22.173 -5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.029 19.621 -4.102 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.892 20.734 -0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.137 18.789 -1.634 1.00 0.00 H new ATOM 84 N VAL A 9 0.617 21.438 -4.745 1.00 0.00 N ATOM 85 CA VAL A 9 1.404 20.399 -5.398 1.00 0.00 C ATOM 86 C VAL A 9 0.576 19.136 -5.613 1.00 0.00 C ATOM 87 O VAL A 9 -0.617 19.106 -5.318 1.00 0.00 O ATOM 88 CB VAL A 9 2.657 20.044 -4.575 1.00 0.00 C ATOM 89 CG1 VAL A 9 3.508 21.282 -4.337 1.00 0.00 C ATOM 90 CG2 VAL A 9 2.262 19.396 -3.257 1.00 0.00 C ATOM 0 H VAL A 9 0.987 21.745 -3.845 1.00 0.00 H new ATOM 0 HA VAL A 9 1.713 20.796 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 9 3.252 19.328 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.389 21.012 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.821 21.698 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.926 22.024 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.159 19.152 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.645 20.087 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.698 18.484 -3.454 1.00 0.00 H new ATOM 100 N GLY A 10 1.220 18.094 -6.131 1.00 0.00 N ATOM 101 CA GLY A 10 0.528 16.843 -6.377 1.00 0.00 C ATOM 102 C GLY A 10 1.446 15.641 -6.266 1.00 0.00 C ATOM 103 O GLY A 10 2.574 15.756 -5.786 1.00 0.00 O ATOM 0 H GLY A 10 2.208 18.094 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.291 16.738 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.084 16.867 -7.372 1.00 0.00 H new ATOM 107 N ILE A 11 0.961 14.486 -6.707 1.00 0.00 N ATOM 108 CA ILE A 11 1.746 13.259 -6.654 1.00 0.00 C ATOM 109 C ILE A 11 2.463 13.007 -7.976 1.00 0.00 C ATOM 110 O ILE A 11 1.871 13.125 -9.049 1.00 0.00 O ATOM 111 CB ILE A 11 0.865 12.040 -6.321 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.181 12.234 -4.966 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.697 10.767 -6.323 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.933 11.244 -4.704 1.00 0.00 C ATOM 0 H ILE A 11 0.029 14.374 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 11 2.484 13.391 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 11 0.095 11.947 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.927 12.147 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.223 13.245 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.059 9.915 -6.086 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.142 10.624 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.487 10.848 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.372 11.441 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.699 11.346 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.532 10.231 -4.724 1.00 0.00 H new ATOM 126 N THR A 12 3.743 12.656 -7.892 1.00 0.00 N ATOM 127 CA THR A 12 4.541 12.386 -9.081 1.00 0.00 C ATOM 128 C THR A 12 4.616 10.891 -9.365 1.00 0.00 C ATOM 129 O THR A 12 4.600 10.466 -10.521 1.00 0.00 O ATOM 130 CB THR A 12 5.971 12.941 -8.935 1.00 0.00 C ATOM 131 OG1 THR A 12 6.724 12.672 -10.123 1.00 0.00 O ATOM 132 CG2 THR A 12 6.671 12.324 -7.734 1.00 0.00 C ATOM 0 H THR A 12 4.249 12.552 -7.012 1.00 0.00 H new ATOM 0 HA THR A 12 4.047 12.887 -9.914 1.00 0.00 H new ATOM 0 HB THR A 12 5.905 14.018 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.631 13.029 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.679 12.731 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.111 12.555 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.726 11.243 -7.861 1.00 0.00 H new ATOM 140 N LYS A 13 4.695 10.094 -8.304 1.00 0.00 N ATOM 141 CA LYS A 13 4.770 8.645 -8.439 1.00 0.00 C ATOM 142 C LYS A 13 3.438 7.995 -8.077 1.00 0.00 C ATOM 143 O LYS A 13 3.187 7.678 -6.914 1.00 0.00 O ATOM 144 CB LYS A 13 5.881 8.085 -7.548 1.00 0.00 C ATOM 145 CG LYS A 13 6.389 6.724 -7.991 1.00 0.00 C ATOM 146 CD LYS A 13 6.925 5.920 -6.819 1.00 0.00 C ATOM 147 CE LYS A 13 6.760 4.425 -7.047 1.00 0.00 C ATOM 148 NZ LYS A 13 7.516 3.960 -8.242 1.00 0.00 N ATOM 0 H LYS A 13 4.709 10.429 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 13 4.997 8.414 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.714 8.788 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.512 8.010 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.582 6.172 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.175 6.853 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.979 6.152 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.402 6.210 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.104 3.883 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.703 4.191 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.462 2.923 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.104 4.381 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.511 4.250 -8.158 1.00 0.00 H new ATOM 162 N ARG A 14 2.588 7.799 -9.080 1.00 0.00 N ATOM 163 CA ARG A 14 1.282 7.187 -8.867 1.00 0.00 C ATOM 164 C ARG A 14 1.427 5.715 -8.493 1.00 0.00 C ATOM 165 O ARG A 14 2.355 5.038 -8.939 1.00 0.00 O ATOM 166 CB ARG A 14 0.420 7.324 -10.123 1.00 0.00 C ATOM 167 CG ARG A 14 0.296 8.753 -10.624 1.00 0.00 C ATOM 168 CD ARG A 14 -0.764 9.524 -9.853 1.00 0.00 C ATOM 169 NE ARG A 14 -0.673 10.963 -10.087 1.00 0.00 N ATOM 170 CZ ARG A 14 -1.639 11.820 -9.776 1.00 0.00 C ATOM 171 NH1 ARG A 14 -2.762 11.386 -9.221 1.00 0.00 N ATOM 172 NH2 ARG A 14 -1.482 13.115 -10.020 1.00 0.00 N ATOM 0 H ARG A 14 2.781 8.055 -10.048 1.00 0.00 H new ATOM 0 HA ARG A 14 0.794 7.707 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.845 6.706 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.576 6.934 -9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.257 9.258 -10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.044 8.747 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.753 9.171 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.655 9.322 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 14 0.179 11.330 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.886 10.391 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.502 12.047 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.619 13.453 -10.447 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.224 13.773 -9.781 1.00 0.00 H new ATOM 186 N LEU A 15 0.503 5.225 -7.674 1.00 0.00 N ATOM 187 CA LEU A 15 0.527 3.832 -7.239 1.00 0.00 C ATOM 188 C LEU A 15 0.375 2.888 -8.428 1.00 0.00 C ATOM 189 O LEU A 15 0.199 3.327 -9.565 1.00 0.00 O ATOM 190 CB LEU A 15 -0.587 3.575 -6.223 1.00 0.00 C ATOM 191 CG LEU A 15 -0.411 4.231 -4.853 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.725 4.230 -4.088 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.674 3.520 -4.057 1.00 0.00 C ATOM 0 H LEU A 15 -0.272 5.771 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 15 1.491 3.641 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.528 3.921 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.679 2.498 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.104 5.266 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.580 4.701 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.475 4.785 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.063 3.203 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.786 4.000 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.396 2.475 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.618 3.575 -4.599 1.00 0.00 H new ATOM 205 N LYS A 16 0.442 1.589 -8.157 1.00 0.00 N ATOM 206 CA LYS A 16 0.308 0.582 -9.203 1.00 0.00 C ATOM 207 C LYS A 16 -0.184 -0.741 -8.624 1.00 0.00 C ATOM 208 O LYS A 16 0.343 -1.226 -7.622 1.00 0.00 O ATOM 209 CB LYS A 16 1.647 0.374 -9.914 1.00 0.00 C ATOM 210 CG LYS A 16 2.763 -0.078 -8.988 1.00 0.00 C ATOM 211 CD LYS A 16 4.051 -0.338 -9.752 1.00 0.00 C ATOM 212 CE LYS A 16 3.889 -1.480 -10.744 1.00 0.00 C ATOM 213 NZ LYS A 16 5.197 -2.103 -11.089 1.00 0.00 N ATOM 0 H LYS A 16 0.588 1.209 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.427 0.939 -9.924 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.519 -0.367 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.941 1.306 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.937 0.684 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.459 -0.985 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.350 0.566 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.850 -0.575 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.226 -2.236 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.413 -1.108 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.045 -2.877 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.821 -1.388 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.640 -2.480 -10.227 1.00 0.00 H new ATOM 227 N THR A 17 -1.195 -1.322 -9.262 1.00 0.00 N ATOM 228 CA THR A 17 -1.757 -2.589 -8.811 1.00 0.00 C ATOM 229 C THR A 17 -0.657 -3.598 -8.500 1.00 0.00 C ATOM 230 O THR A 17 0.237 -3.826 -9.313 1.00 0.00 O ATOM 231 CB THR A 17 -2.706 -3.190 -9.865 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.820 -2.315 -10.076 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.205 -4.558 -9.425 1.00 0.00 C ATOM 0 H THR A 17 -1.642 -0.935 -10.093 1.00 0.00 H new ATOM 0 HA THR A 17 -2.322 -2.379 -7.903 1.00 0.00 H new ATOM 0 HB THR A 17 -2.153 -3.305 -10.797 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.450 -2.732 -10.700 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.874 -4.963 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.357 -5.230 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.743 -4.463 -8.482 1.00 0.00 H new ATOM 241 N MET A 18 -0.731 -4.201 -7.317 1.00 0.00 N ATOM 242 CA MET A 18 0.258 -5.188 -6.900 1.00 0.00 C ATOM 243 C MET A 18 -0.300 -6.602 -7.022 1.00 0.00 C ATOM 244 O MET A 18 -1.350 -6.914 -6.461 1.00 0.00 O ATOM 245 CB MET A 18 0.698 -4.923 -5.459 1.00 0.00 C ATOM 246 CG MET A 18 1.675 -5.957 -4.922 1.00 0.00 C ATOM 247 SD MET A 18 3.074 -6.230 -6.026 1.00 0.00 S ATOM 248 CE MET A 18 4.133 -4.857 -5.576 1.00 0.00 C ATOM 0 H MET A 18 -1.465 -4.023 -6.631 1.00 0.00 H new ATOM 0 HA MET A 18 1.122 -5.100 -7.558 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.159 -3.937 -5.404 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.183 -4.900 -4.817 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.043 -5.632 -3.949 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.151 -6.900 -4.766 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.159 -5.209 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.092 -4.095 -6.355 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.794 -4.430 -4.632 1.00 0.00 H new ATOM 258 N GLU A 19 0.408 -7.453 -7.758 1.00 0.00 N ATOM 259 CA GLU A 19 -0.019 -8.833 -7.954 1.00 0.00 C ATOM 260 C GLU A 19 0.949 -9.802 -7.282 1.00 0.00 C ATOM 261 O GLU A 19 2.145 -9.804 -7.572 1.00 0.00 O ATOM 262 CB GLU A 19 -0.124 -9.152 -9.446 1.00 0.00 C ATOM 263 CG GLU A 19 -0.881 -10.435 -9.743 1.00 0.00 C ATOM 264 CD GLU A 19 0.027 -11.649 -9.800 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.219 -11.481 -10.130 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.455 -12.765 -9.514 1.00 0.00 O ATOM 0 H GLU A 19 1.280 -7.211 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.001 -8.951 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.619 -8.323 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.880 -9.227 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.641 -10.590 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.404 -10.332 -10.694 1.00 0.00 H new ATOM 273 N VAL A 20 0.423 -10.626 -6.381 1.00 0.00 N ATOM 274 CA VAL A 20 1.239 -11.601 -5.667 1.00 0.00 C ATOM 275 C VAL A 20 0.454 -12.878 -5.391 1.00 0.00 C ATOM 276 O VAL A 20 -0.694 -13.018 -5.815 1.00 0.00 O ATOM 277 CB VAL A 20 1.757 -11.031 -4.333 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.171 -9.577 -4.499 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.700 -11.172 -3.248 1.00 0.00 C ATOM 0 H VAL A 20 -0.565 -10.638 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 20 2.089 -11.832 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 20 2.635 -11.602 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.534 -9.191 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.963 -9.507 -5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.313 -8.989 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.082 -10.764 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.197 -10.627 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.456 -12.226 -3.112 1.00 0.00 H new ATOM 289 N LEU A 21 1.080 -13.808 -4.677 1.00 0.00 N ATOM 290 CA LEU A 21 0.439 -15.075 -4.343 1.00 0.00 C ATOM 291 C LEU A 21 0.017 -15.102 -2.878 1.00 0.00 C ATOM 292 O LEU A 21 0.770 -14.686 -1.997 1.00 0.00 O ATOM 293 CB LEU A 21 1.387 -16.240 -4.634 1.00 0.00 C ATOM 294 CG LEU A 21 0.725 -17.562 -5.026 1.00 0.00 C ATOM 295 CD1 LEU A 21 1.700 -18.440 -5.795 1.00 0.00 C ATOM 296 CD2 LEU A 21 0.210 -18.288 -3.791 1.00 0.00 C ATOM 0 H LEU A 21 2.030 -13.708 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.453 -15.177 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.061 -15.942 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.001 -16.412 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.124 -17.343 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.211 -19.376 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.020 -17.923 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.569 -18.651 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.258 -19.226 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.042 -18.495 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.523 -17.663 -3.281 1.00 0.00 H new ATOM 308 N GLU A 22 -1.191 -15.595 -2.624 1.00 0.00 N ATOM 309 CA GLU A 22 -1.712 -15.677 -1.264 1.00 0.00 C ATOM 310 C GLU A 22 -0.660 -16.237 -0.311 1.00 0.00 C ATOM 311 O GLU A 22 0.019 -17.214 -0.623 1.00 0.00 O ATOM 312 CB GLU A 22 -2.967 -16.552 -1.227 1.00 0.00 C ATOM 313 CG GLU A 22 -3.365 -16.986 0.173 1.00 0.00 C ATOM 314 CD GLU A 22 -4.394 -18.100 0.169 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.089 -18.260 -0.856 1.00 0.00 O ATOM 316 OE2 GLU A 22 -4.504 -18.812 1.189 1.00 0.00 O ATOM 0 H GLU A 22 -1.827 -15.943 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.971 -14.669 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.795 -16.005 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.800 -17.438 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.478 -17.318 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.765 -16.129 0.715 1.00 0.00 H new ATOM 323 N GLY A 23 -0.531 -15.608 0.853 1.00 0.00 N ATOM 324 CA GLY A 23 0.441 -16.056 1.834 1.00 0.00 C ATOM 325 C GLY A 23 1.712 -15.231 1.810 1.00 0.00 C ATOM 326 O GLY A 23 2.312 -14.974 2.853 1.00 0.00 O ATOM 0 H GLY A 23 -1.082 -14.797 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.002 -16.006 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.687 -17.101 1.646 1.00 0.00 H new ATOM 330 N GLU A 24 2.124 -14.816 0.616 1.00 0.00 N ATOM 331 CA GLU A 24 3.334 -14.018 0.461 1.00 0.00 C ATOM 332 C GLU A 24 3.158 -12.636 1.084 1.00 0.00 C ATOM 333 O GLU A 24 2.082 -12.299 1.579 1.00 0.00 O ATOM 334 CB GLU A 24 3.695 -13.879 -1.020 1.00 0.00 C ATOM 335 CG GLU A 24 4.205 -15.166 -1.645 1.00 0.00 C ATOM 336 CD GLU A 24 5.483 -15.663 -0.996 1.00 0.00 C ATOM 337 OE1 GLU A 24 6.568 -15.177 -1.377 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.398 -16.537 -0.109 1.00 0.00 O ATOM 0 H GLU A 24 1.638 -15.019 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 24 4.145 -14.531 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.816 -13.541 -1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.455 -13.106 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.437 -15.935 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.381 -15.004 -2.708 1.00 0.00 H new ATOM 345 N SER A 25 4.222 -11.840 1.057 1.00 0.00 N ATOM 346 CA SER A 25 4.187 -10.497 1.623 1.00 0.00 C ATOM 347 C SER A 25 4.808 -9.487 0.662 1.00 0.00 C ATOM 348 O SER A 25 5.927 -9.675 0.184 1.00 0.00 O ATOM 349 CB SER A 25 4.926 -10.465 2.962 1.00 0.00 C ATOM 350 OG SER A 25 6.306 -10.739 2.789 1.00 0.00 O ATOM 0 H SER A 25 5.119 -12.102 0.649 1.00 0.00 H new ATOM 0 HA SER A 25 3.144 -10.225 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.802 -9.487 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.489 -11.198 3.640 1.00 0.00 H new ATOM 0 HG SER A 25 6.568 -10.532 1.867 1.00 0.00 H new ATOM 356 N CYS A 26 4.073 -8.416 0.385 1.00 0.00 N ATOM 357 CA CYS A 26 4.549 -7.375 -0.519 1.00 0.00 C ATOM 358 C CYS A 26 4.510 -6.008 0.156 1.00 0.00 C ATOM 359 O CYS A 26 4.027 -5.874 1.281 1.00 0.00 O ATOM 360 CB CYS A 26 3.704 -7.352 -1.794 1.00 0.00 C ATOM 361 SG CYS A 26 4.588 -6.755 -3.254 1.00 0.00 S ATOM 0 H CYS A 26 3.145 -8.246 0.773 1.00 0.00 H new ATOM 0 HA CYS A 26 5.583 -7.601 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.336 -8.359 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.831 -6.721 -1.627 1.00 0.00 H new ATOM 0 HG CYS A 26 3.884 -7.001 -4.319 1.00 0.00 H new ATOM 367 N SER A 27 5.022 -4.996 -0.537 1.00 0.00 N ATOM 368 CA SER A 27 5.051 -3.640 -0.002 1.00 0.00 C ATOM 369 C SER A 27 4.862 -2.613 -1.114 1.00 0.00 C ATOM 370 O SER A 27 5.497 -2.696 -2.165 1.00 0.00 O ATOM 371 CB SER A 27 6.372 -3.384 0.725 1.00 0.00 C ATOM 372 OG SER A 27 7.462 -3.392 -0.180 1.00 0.00 O ATOM 0 H SER A 27 5.422 -5.090 -1.470 1.00 0.00 H new ATOM 0 HA SER A 27 4.229 -3.538 0.707 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.328 -2.423 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.524 -4.146 1.489 1.00 0.00 H new ATOM 0 HG SER A 27 8.295 -3.224 0.309 1.00 0.00 H new ATOM 378 N PHE A 28 3.983 -1.645 -0.874 1.00 0.00 N ATOM 379 CA PHE A 28 3.709 -0.601 -1.855 1.00 0.00 C ATOM 380 C PHE A 28 4.668 0.573 -1.682 1.00 0.00 C ATOM 381 O PHE A 28 5.428 0.629 -0.717 1.00 0.00 O ATOM 382 CB PHE A 28 2.263 -0.117 -1.724 1.00 0.00 C ATOM 383 CG PHE A 28 1.250 -1.117 -2.204 1.00 0.00 C ATOM 384 CD1 PHE A 28 0.955 -1.231 -3.553 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.593 -1.943 -1.307 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.024 -2.150 -3.999 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.339 -2.864 -1.746 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.625 -2.967 -3.094 1.00 0.00 C ATOM 0 H PHE A 28 3.449 -1.562 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 28 3.855 -1.023 -2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.061 0.120 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.145 0.807 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.459 -0.594 -4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.812 -1.866 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.196 -2.229 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.843 -3.503 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.354 -3.685 -3.439 1.00 0.00 H new ATOM 398 N GLU A 29 4.625 1.507 -2.627 1.00 0.00 N ATOM 399 CA GLU A 29 5.491 2.680 -2.580 1.00 0.00 C ATOM 400 C GLU A 29 4.812 3.884 -3.226 1.00 0.00 C ATOM 401 O GLU A 29 4.227 3.776 -4.304 1.00 0.00 O ATOM 402 CB GLU A 29 6.818 2.389 -3.286 1.00 0.00 C ATOM 403 CG GLU A 29 7.629 1.286 -2.627 1.00 0.00 C ATOM 404 CD GLU A 29 8.783 0.815 -3.491 1.00 0.00 C ATOM 405 OE1 GLU A 29 9.868 1.429 -3.419 1.00 0.00 O ATOM 406 OE2 GLU A 29 8.600 -0.168 -4.240 1.00 0.00 O ATOM 0 H GLU A 29 4.001 1.475 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 29 5.687 2.914 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.616 2.111 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.414 3.301 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.017 1.645 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.976 0.441 -2.408 1.00 0.00 H new ATOM 413 N CYS A 30 4.894 5.030 -2.559 1.00 0.00 N ATOM 414 CA CYS A 30 4.287 6.255 -3.066 1.00 0.00 C ATOM 415 C CYS A 30 5.148 7.468 -2.731 1.00 0.00 C ATOM 416 O CYS A 30 5.490 7.699 -1.571 1.00 0.00 O ATOM 417 CB CYS A 30 2.885 6.433 -2.482 1.00 0.00 C ATOM 418 SG CYS A 30 1.952 7.802 -3.206 1.00 0.00 S ATOM 0 H CYS A 30 5.375 5.136 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 30 4.214 6.173 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.324 5.509 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.968 6.593 -1.407 1.00 0.00 H new ATOM 0 HG CYS A 30 0.779 7.870 -2.649 1.00 0.00 H new ATOM 424 N VAL A 31 5.498 8.240 -3.755 1.00 0.00 N ATOM 425 CA VAL A 31 6.321 9.429 -3.570 1.00 0.00 C ATOM 426 C VAL A 31 5.536 10.696 -3.894 1.00 0.00 C ATOM 427 O VAL A 31 4.546 10.656 -4.626 1.00 0.00 O ATOM 428 CB VAL A 31 7.583 9.381 -4.452 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.483 10.572 -4.160 1.00 0.00 C ATOM 430 CG2 VAL A 31 8.330 8.073 -4.241 1.00 0.00 C ATOM 0 H VAL A 31 5.224 8.063 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 31 6.620 9.447 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 31 7.278 9.434 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.370 10.522 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.942 11.496 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.783 10.553 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.219 8.056 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.625 7.987 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.682 7.237 -4.505 1.00 0.00 H new ATOM 440 N LEU A 32 5.984 11.819 -3.345 1.00 0.00 N ATOM 441 CA LEU A 32 5.324 13.100 -3.575 1.00 0.00 C ATOM 442 C LEU A 32 6.241 14.057 -4.330 1.00 0.00 C ATOM 443 O LEU A 32 7.461 14.019 -4.171 1.00 0.00 O ATOM 444 CB LEU A 32 4.902 13.725 -2.244 1.00 0.00 C ATOM 445 CG LEU A 32 4.072 12.834 -1.319 1.00 0.00 C ATOM 446 CD1 LEU A 32 3.878 13.503 0.033 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.727 12.512 -1.953 1.00 0.00 C ATOM 0 H LEU A 32 6.802 11.869 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 32 4.437 12.920 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.800 14.033 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.330 14.629 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 32 4.612 11.900 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.285 12.855 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.850 13.682 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.360 14.452 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.150 11.877 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.180 13.437 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.885 11.991 -2.897 1.00 0.00 H new ATOM 459 N SER A 33 5.645 14.915 -5.151 1.00 0.00 N ATOM 460 CA SER A 33 6.408 15.882 -5.932 1.00 0.00 C ATOM 461 C SER A 33 7.338 16.693 -5.035 1.00 0.00 C ATOM 462 O SER A 33 8.548 16.742 -5.258 1.00 0.00 O ATOM 463 CB SER A 33 5.463 16.819 -6.687 1.00 0.00 C ATOM 464 OG SER A 33 6.051 18.095 -6.871 1.00 0.00 O ATOM 0 H SER A 33 4.636 14.961 -5.293 1.00 0.00 H new ATOM 0 HA SER A 33 7.015 15.333 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.214 16.386 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.529 16.922 -6.134 1.00 0.00 H new ATOM 0 HG SER A 33 5.428 18.675 -7.357 1.00 0.00 H new ATOM 470 N HIS A 34 6.764 17.328 -4.018 1.00 0.00 N ATOM 471 CA HIS A 34 7.540 18.137 -3.086 1.00 0.00 C ATOM 472 C HIS A 34 7.489 17.546 -1.680 1.00 0.00 C ATOM 473 O HIS A 34 6.474 16.984 -1.271 1.00 0.00 O ATOM 474 CB HIS A 34 7.017 19.574 -3.066 1.00 0.00 C ATOM 475 CG HIS A 34 8.024 20.571 -2.582 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.006 21.101 -1.309 1.00 0.00 N ATOM 477 CD2 HIS A 34 9.084 21.134 -3.208 1.00 0.00 C ATOM 478 CE1 HIS A 34 9.011 21.948 -1.173 1.00 0.00 C ATOM 479 NE2 HIS A 34 9.681 21.986 -2.311 1.00 0.00 N ATOM 0 H HIS A 34 5.764 17.298 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 34 8.577 18.140 -3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.699 19.850 -4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.135 19.622 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.401 20.948 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.245 22.513 -0.283 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.507 22.555 -2.494 1.00 0.00 H new ATOM 488 N GLU A 35 8.591 17.676 -0.948 1.00 0.00 N ATOM 489 CA GLU A 35 8.671 17.152 0.410 1.00 0.00 C ATOM 490 C GLU A 35 7.467 17.596 1.236 1.00 0.00 C ATOM 491 O GLU A 35 6.586 18.299 0.741 1.00 0.00 O ATOM 492 CB GLU A 35 9.965 17.615 1.084 1.00 0.00 C ATOM 493 CG GLU A 35 11.220 17.031 0.457 1.00 0.00 C ATOM 494 CD GLU A 35 12.488 17.505 1.141 1.00 0.00 C ATOM 495 OE1 GLU A 35 12.716 18.732 1.183 1.00 0.00 O ATOM 496 OE2 GLU A 35 13.251 16.648 1.634 1.00 0.00 O ATOM 0 H GLU A 35 9.440 18.139 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 35 8.669 16.063 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.019 18.703 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.934 17.340 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.172 15.943 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.256 17.305 -0.597 1.00 0.00 H new ATOM 503 N SER A 36 7.437 17.181 2.498 1.00 0.00 N ATOM 504 CA SER A 36 6.340 17.532 3.393 1.00 0.00 C ATOM 505 C SER A 36 6.869 18.133 4.691 1.00 0.00 C ATOM 506 O SER A 36 8.077 18.169 4.925 1.00 0.00 O ATOM 507 CB SER A 36 5.489 16.298 3.699 1.00 0.00 C ATOM 508 OG SER A 36 6.244 15.316 4.387 1.00 0.00 O ATOM 0 H SER A 36 8.160 16.601 2.924 1.00 0.00 H new ATOM 0 HA SER A 36 5.721 18.277 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.627 16.587 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.103 15.879 2.770 1.00 0.00 H new ATOM 0 HG SER A 36 5.677 14.538 4.572 1.00 0.00 H new ATOM 514 N ALA A 37 5.955 18.605 5.533 1.00 0.00 N ATOM 515 CA ALA A 37 6.328 19.203 6.809 1.00 0.00 C ATOM 516 C ALA A 37 5.204 19.064 7.830 1.00 0.00 C ATOM 517 O ALA A 37 4.170 19.723 7.722 1.00 0.00 O ATOM 518 CB ALA A 37 6.692 20.668 6.618 1.00 0.00 C ATOM 0 H ALA A 37 4.951 18.585 5.354 1.00 0.00 H new ATOM 0 HA ALA A 37 7.198 18.670 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.969 21.102 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.533 20.747 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.836 21.205 6.210 1.00 0.00 H new ATOM 524 N SER A 38 5.413 18.202 8.820 1.00 0.00 N ATOM 525 CA SER A 38 4.415 17.973 9.858 1.00 0.00 C ATOM 526 C SER A 38 3.072 17.587 9.245 1.00 0.00 C ATOM 527 O SER A 38 2.019 18.045 9.689 1.00 0.00 O ATOM 528 CB SER A 38 4.252 19.225 10.723 1.00 0.00 C ATOM 529 OG SER A 38 5.479 19.922 10.847 1.00 0.00 O ATOM 0 H SER A 38 6.265 17.651 8.925 1.00 0.00 H new ATOM 0 HA SER A 38 4.760 17.149 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.501 19.880 10.282 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.889 18.943 11.711 1.00 0.00 H new ATOM 0 HG SER A 38 5.348 20.719 11.403 1.00 0.00 H new ATOM 535 N ASP A 39 3.118 16.741 8.221 1.00 0.00 N ATOM 536 CA ASP A 39 1.906 16.291 7.546 1.00 0.00 C ATOM 537 C ASP A 39 1.864 14.769 7.463 1.00 0.00 C ATOM 538 O ASP A 39 2.354 14.160 6.512 1.00 0.00 O ATOM 539 CB ASP A 39 1.825 16.893 6.142 1.00 0.00 C ATOM 540 CG ASP A 39 1.964 18.403 6.150 1.00 0.00 C ATOM 541 OD1 ASP A 39 1.291 19.057 6.974 1.00 0.00 O ATOM 542 OD2 ASP A 39 2.747 18.930 5.334 1.00 0.00 O ATOM 0 H ASP A 39 3.981 16.353 7.841 1.00 0.00 H new ATOM 0 HA ASP A 39 1.049 16.629 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.609 16.462 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.872 16.621 5.688 1.00 0.00 H new ATOM 547 N PRO A 40 1.265 14.137 8.484 1.00 0.00 N ATOM 548 CA PRO A 40 1.145 12.677 8.550 1.00 0.00 C ATOM 549 C PRO A 40 0.173 12.128 7.511 1.00 0.00 C ATOM 550 O PRO A 40 -0.795 12.791 7.141 1.00 0.00 O ATOM 551 CB PRO A 40 0.612 12.429 9.964 1.00 0.00 C ATOM 552 CG PRO A 40 -0.096 13.688 10.328 1.00 0.00 C ATOM 553 CD PRO A 40 0.658 14.799 9.651 1.00 0.00 C ATOM 0 HA PRO A 40 2.093 12.180 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.063 11.574 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.422 12.215 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.134 13.662 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.111 13.829 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.005 15.611 9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.414 15.230 10.307 1.00 0.00 H new ATOM 561 N ALA A 41 0.438 10.912 7.044 1.00 0.00 N ATOM 562 CA ALA A 41 -0.414 10.273 6.050 1.00 0.00 C ATOM 563 C ALA A 41 -1.417 9.332 6.709 1.00 0.00 C ATOM 564 O ALA A 41 -1.426 9.177 7.930 1.00 0.00 O ATOM 565 CB ALA A 41 0.433 9.518 5.036 1.00 0.00 C ATOM 0 H ALA A 41 1.237 10.350 7.339 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.973 11.052 5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.217 9.045 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.105 10.213 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.018 8.753 5.548 1.00 0.00 H new ATOM 571 N MET A 42 -2.259 8.707 5.894 1.00 0.00 N ATOM 572 CA MET A 42 -3.266 7.780 6.399 1.00 0.00 C ATOM 573 C MET A 42 -3.584 6.706 5.365 1.00 0.00 C ATOM 574 O MET A 42 -4.177 6.990 4.324 1.00 0.00 O ATOM 575 CB MET A 42 -4.542 8.536 6.776 1.00 0.00 C ATOM 576 CG MET A 42 -5.728 7.626 7.049 1.00 0.00 C ATOM 577 SD MET A 42 -7.261 8.541 7.301 1.00 0.00 S ATOM 578 CE MET A 42 -8.433 7.198 7.477 1.00 0.00 C ATOM 0 H MET A 42 -2.265 8.825 4.881 1.00 0.00 H new ATOM 0 HA MET A 42 -2.864 7.295 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.348 9.142 7.661 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.799 9.223 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.853 6.938 6.213 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.521 7.021 7.932 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.150 7.231 6.656 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.902 6.246 7.457 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.962 7.299 8.425 1.00 0.00 H new ATOM 588 N TRP A 43 -3.187 5.473 5.658 1.00 0.00 N ATOM 589 CA TRP A 43 -3.430 4.356 4.751 1.00 0.00 C ATOM 590 C TRP A 43 -4.769 3.692 5.053 1.00 0.00 C ATOM 591 O TRP A 43 -5.002 3.218 6.166 1.00 0.00 O ATOM 592 CB TRP A 43 -2.301 3.330 4.860 1.00 0.00 C ATOM 593 CG TRP A 43 -0.992 3.828 4.328 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.037 4.520 5.017 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.495 3.675 2.994 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.024 4.806 4.192 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.768 4.298 2.946 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.992 3.071 1.836 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.536 4.333 1.785 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.228 3.107 0.685 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.025 3.734 0.666 1.00 0.00 C ATOM 0 H TRP A 43 -2.696 5.221 6.516 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.460 4.745 3.733 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.176 3.048 5.905 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.586 2.428 4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.106 4.801 6.058 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.866 5.314 4.463 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.956 2.585 1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.502 4.816 1.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.603 2.644 -0.216 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.598 3.745 -0.249 1.00 0.00 H new ATOM 612 N THR A 44 -5.647 3.660 4.056 1.00 0.00 N ATOM 613 CA THR A 44 -6.963 3.054 4.216 1.00 0.00 C ATOM 614 C THR A 44 -7.157 1.897 3.243 1.00 0.00 C ATOM 615 O THR A 44 -7.406 2.106 2.055 1.00 0.00 O ATOM 616 CB THR A 44 -8.086 4.086 3.999 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.805 4.881 2.843 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.236 4.986 5.216 1.00 0.00 C ATOM 0 H THR A 44 -5.471 4.047 3.129 1.00 0.00 H new ATOM 0 HA THR A 44 -7.017 2.679 5.238 1.00 0.00 H new ATOM 0 HB THR A 44 -9.021 3.546 3.849 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.225 4.378 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.035 5.706 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.480 4.380 6.089 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.301 5.517 5.393 1.00 0.00 H new ATOM 626 N VAL A 45 -7.043 0.675 3.753 1.00 0.00 N ATOM 627 CA VAL A 45 -7.208 -0.517 2.929 1.00 0.00 C ATOM 628 C VAL A 45 -8.464 -1.287 3.322 1.00 0.00 C ATOM 629 O VAL A 45 -8.610 -1.716 4.466 1.00 0.00 O ATOM 630 CB VAL A 45 -5.989 -1.452 3.044 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.785 -1.889 4.486 1.00 0.00 C ATOM 632 CG2 VAL A 45 -6.155 -2.657 2.131 1.00 0.00 C ATOM 0 H VAL A 45 -6.837 0.484 4.734 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.301 -0.178 1.897 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.101 -0.904 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.920 -2.549 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.618 -1.012 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.671 -2.420 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.285 -3.307 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.052 -3.208 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.247 -2.321 1.098 1.00 0.00 H new ATOM 642 N GLY A 46 -9.370 -1.459 2.364 1.00 0.00 N ATOM 643 CA GLY A 46 -10.602 -2.178 2.629 1.00 0.00 C ATOM 644 C GLY A 46 -11.682 -1.284 3.205 1.00 0.00 C ATOM 645 O GLY A 46 -12.829 -1.318 2.760 1.00 0.00 O ATOM 0 H GLY A 46 -9.272 -1.113 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.962 -2.628 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.401 -2.994 3.324 1.00 0.00 H new ATOM 649 N GLY A 47 -11.316 -0.482 4.200 1.00 0.00 N ATOM 650 CA GLY A 47 -12.275 0.412 4.823 1.00 0.00 C ATOM 651 C GLY A 47 -11.990 0.632 6.296 1.00 0.00 C ATOM 652 O GLY A 47 -12.900 0.599 7.124 1.00 0.00 O ATOM 0 H GLY A 47 -10.373 -0.435 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.262 1.372 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.278 0.002 4.707 1.00 0.00 H new ATOM 656 N LYS A 48 -10.722 0.856 6.625 1.00 0.00 N ATOM 657 CA LYS A 48 -10.318 1.082 8.007 1.00 0.00 C ATOM 658 C LYS A 48 -8.921 1.691 8.073 1.00 0.00 C ATOM 659 O LYS A 48 -8.148 1.603 7.119 1.00 0.00 O ATOM 660 CB LYS A 48 -10.352 -0.231 8.791 1.00 0.00 C ATOM 661 CG LYS A 48 -9.496 -1.327 8.179 1.00 0.00 C ATOM 662 CD LYS A 48 -9.536 -2.597 9.012 1.00 0.00 C ATOM 663 CE LYS A 48 -10.876 -3.305 8.886 1.00 0.00 C ATOM 664 NZ LYS A 48 -11.051 -4.353 9.929 1.00 0.00 N ATOM 0 H LYS A 48 -9.956 0.886 5.952 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.022 1.783 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.015 -0.045 9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.383 -0.580 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.846 -1.542 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.466 -0.980 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.738 -3.267 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.349 -2.353 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.681 -2.575 8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.955 -3.759 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.977 -4.812 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.298 -5.064 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.001 -3.916 10.872 1.00 0.00 H new ATOM 678 N THR A 49 -8.602 2.308 9.207 1.00 0.00 N ATOM 679 CA THR A 49 -7.298 2.930 9.398 1.00 0.00 C ATOM 680 C THR A 49 -6.260 1.907 9.844 1.00 0.00 C ATOM 681 O THR A 49 -6.406 1.276 10.891 1.00 0.00 O ATOM 682 CB THR A 49 -7.364 4.065 10.437 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.406 4.985 10.093 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.036 4.803 10.517 1.00 0.00 C ATOM 0 H THR A 49 -9.229 2.390 10.007 1.00 0.00 H new ATOM 0 HA THR A 49 -7.002 3.346 8.435 1.00 0.00 H new ATOM 0 HB THR A 49 -7.576 3.624 11.411 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.442 5.702 10.760 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.107 5.600 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.250 4.106 10.808 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.799 5.232 9.543 1.00 0.00 H new ATOM 692 N VAL A 50 -5.211 1.747 9.044 1.00 0.00 N ATOM 693 CA VAL A 50 -4.147 0.801 9.359 1.00 0.00 C ATOM 694 C VAL A 50 -2.973 1.499 10.037 1.00 0.00 C ATOM 695 O VAL A 50 -2.889 2.726 10.047 1.00 0.00 O ATOM 696 CB VAL A 50 -3.641 0.084 8.093 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.795 -0.582 7.360 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.913 1.062 7.183 1.00 0.00 C ATOM 0 H VAL A 50 -5.075 2.260 8.173 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.571 0.064 10.041 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.936 -0.692 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.419 -1.083 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.269 -1.313 8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.526 0.173 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.562 0.539 6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.593 1.861 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.061 1.487 7.713 1.00 0.00 H new ATOM 708 N GLY A 51 -2.068 0.707 10.605 1.00 0.00 N ATOM 709 CA GLY A 51 -0.911 1.267 11.278 1.00 0.00 C ATOM 710 C GLY A 51 -0.548 0.505 12.537 1.00 0.00 C ATOM 711 O GLY A 51 0.611 0.139 12.737 1.00 0.00 O ATOM 0 H GLY A 51 -2.116 -0.312 10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.060 1.263 10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.111 2.308 11.532 1.00 0.00 H new ATOM 715 N SER A 52 -1.539 0.267 13.389 1.00 0.00 N ATOM 716 CA SER A 52 -1.317 -0.452 14.638 1.00 0.00 C ATOM 717 C SER A 52 -1.640 -1.935 14.477 1.00 0.00 C ATOM 718 O SER A 52 -2.251 -2.547 15.353 1.00 0.00 O ATOM 719 CB SER A 52 -2.171 0.149 15.756 1.00 0.00 C ATOM 720 OG SER A 52 -3.551 -0.064 15.514 1.00 0.00 O ATOM 0 H SER A 52 -2.504 0.561 13.238 1.00 0.00 H new ATOM 0 HA SER A 52 -0.264 -0.354 14.902 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.893 -0.298 16.711 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.973 1.218 15.835 1.00 0.00 H new ATOM 0 HG SER A 52 -4.075 0.328 16.243 1.00 0.00 H new ATOM 726 N SER A 53 -1.224 -2.505 13.351 1.00 0.00 N ATOM 727 CA SER A 53 -1.472 -3.915 13.072 1.00 0.00 C ATOM 728 C SER A 53 -0.224 -4.583 12.502 1.00 0.00 C ATOM 729 O SER A 53 0.313 -4.152 11.482 1.00 0.00 O ATOM 730 CB SER A 53 -2.637 -4.065 12.092 1.00 0.00 C ATOM 731 OG SER A 53 -3.837 -3.553 12.645 1.00 0.00 O ATOM 0 H SER A 53 -0.714 -2.013 12.617 1.00 0.00 H new ATOM 0 HA SER A 53 -1.730 -4.406 14.010 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.407 -3.540 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.770 -5.117 11.838 1.00 0.00 H new ATOM 0 HG SER A 53 -4.566 -3.659 11.999 1.00 0.00 H new ATOM 737 N SER A 54 0.231 -5.639 13.168 1.00 0.00 N ATOM 738 CA SER A 54 1.417 -6.366 12.732 1.00 0.00 C ATOM 739 C SER A 54 1.387 -6.600 11.224 1.00 0.00 C ATOM 740 O SER A 54 2.406 -6.476 10.545 1.00 0.00 O ATOM 741 CB SER A 54 1.520 -7.704 13.465 1.00 0.00 C ATOM 742 OG SER A 54 0.399 -8.525 13.187 1.00 0.00 O ATOM 0 H SER A 54 -0.204 -6.010 14.012 1.00 0.00 H new ATOM 0 HA SER A 54 2.292 -5.761 12.971 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.434 -8.217 13.165 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.590 -7.530 14.539 1.00 0.00 H new ATOM 0 HG SER A 54 0.489 -9.375 13.666 1.00 0.00 H new ATOM 748 N ARG A 55 0.210 -6.938 10.708 1.00 0.00 N ATOM 749 CA ARG A 55 0.045 -7.191 9.282 1.00 0.00 C ATOM 750 C ARG A 55 0.585 -6.026 8.457 1.00 0.00 C ATOM 751 O ARG A 55 1.549 -6.177 7.706 1.00 0.00 O ATOM 752 CB ARG A 55 -1.430 -7.423 8.950 1.00 0.00 C ATOM 753 CG ARG A 55 -1.867 -8.871 9.102 1.00 0.00 C ATOM 754 CD ARG A 55 -1.450 -9.441 10.449 1.00 0.00 C ATOM 755 NE ARG A 55 -2.359 -9.040 11.518 1.00 0.00 N ATOM 756 CZ ARG A 55 -3.492 -9.675 11.797 1.00 0.00 C ATOM 757 NH1 ARG A 55 -3.852 -10.737 11.090 1.00 0.00 N ATOM 758 NH2 ARG A 55 -4.267 -9.250 12.787 1.00 0.00 N ATOM 0 H ARG A 55 -0.644 -7.043 11.256 1.00 0.00 H new ATOM 0 HA ARG A 55 0.612 -8.087 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.043 -6.797 9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.618 -7.101 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.950 -8.938 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.431 -9.469 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.419 -10.529 10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.440 -9.106 10.687 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.111 -8.227 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.259 -11.069 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.722 -11.223 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.993 -8.435 13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.137 -9.739 13.000 1.00 0.00 H new ATOM 772 N PHE A 56 -0.042 -4.863 8.603 1.00 0.00 N ATOM 773 CA PHE A 56 0.374 -3.673 7.871 1.00 0.00 C ATOM 774 C PHE A 56 1.486 -2.938 8.615 1.00 0.00 C ATOM 775 O PHE A 56 1.449 -2.812 9.838 1.00 0.00 O ATOM 776 CB PHE A 56 -0.817 -2.737 7.658 1.00 0.00 C ATOM 777 CG PHE A 56 -1.910 -3.338 6.822 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.826 -4.215 7.381 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.021 -3.028 5.476 1.00 0.00 C ATOM 780 CE1 PHE A 56 -3.834 -4.770 6.615 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.027 -3.580 4.705 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.933 -4.452 5.274 1.00 0.00 C ATOM 0 H PHE A 56 -0.840 -4.720 9.222 1.00 0.00 H new ATOM 0 HA PHE A 56 0.757 -3.989 6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.226 -2.456 8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.468 -1.821 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.751 -4.468 8.428 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.314 -2.348 5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.542 -5.451 7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.104 -3.329 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.718 -4.885 4.672 1.00 0.00 H new ATOM 792 N GLN A 57 2.473 -2.457 7.866 1.00 0.00 N ATOM 793 CA GLN A 57 3.596 -1.737 8.454 1.00 0.00 C ATOM 794 C GLN A 57 3.863 -0.438 7.701 1.00 0.00 C ATOM 795 O GLN A 57 4.673 -0.401 6.775 1.00 0.00 O ATOM 796 CB GLN A 57 4.851 -2.612 8.446 1.00 0.00 C ATOM 797 CG GLN A 57 6.085 -1.911 8.992 1.00 0.00 C ATOM 798 CD GLN A 57 6.235 -2.077 10.491 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.628 -2.962 11.093 1.00 0.00 O ATOM 800 NE2 GLN A 57 7.049 -1.223 11.102 1.00 0.00 N ATOM 0 H GLN A 57 2.518 -2.553 6.851 1.00 0.00 H new ATOM 0 HA GLN A 57 3.339 -1.493 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.662 -3.509 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.050 -2.938 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.972 -2.306 8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.031 -0.849 8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.532 -0.504 10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.191 -1.286 12.110 1.00 0.00 H new ATOM 809 N ALA A 58 3.177 0.626 8.105 1.00 0.00 N ATOM 810 CA ALA A 58 3.342 1.928 7.470 1.00 0.00 C ATOM 811 C ALA A 58 4.665 2.571 7.871 1.00 0.00 C ATOM 812 O ALA A 58 4.769 3.198 8.926 1.00 0.00 O ATOM 813 CB ALA A 58 2.179 2.841 7.829 1.00 0.00 C ATOM 0 H ALA A 58 2.502 0.612 8.869 1.00 0.00 H new ATOM 0 HA ALA A 58 3.353 1.779 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.315 3.810 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.246 2.394 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.142 2.975 8.910 1.00 0.00 H new ATOM 819 N THR A 59 5.676 2.411 7.023 1.00 0.00 N ATOM 820 CA THR A 59 6.994 2.974 7.290 1.00 0.00 C ATOM 821 C THR A 59 7.123 4.374 6.700 1.00 0.00 C ATOM 822 O THR A 59 6.299 4.794 5.887 1.00 0.00 O ATOM 823 CB THR A 59 8.112 2.083 6.718 1.00 0.00 C ATOM 824 OG1 THR A 59 9.317 2.842 6.571 1.00 0.00 O ATOM 825 CG2 THR A 59 7.706 1.502 5.372 1.00 0.00 C ATOM 0 H THR A 59 5.607 1.896 6.145 1.00 0.00 H new ATOM 0 HA THR A 59 7.101 3.028 8.373 1.00 0.00 H new ATOM 0 HB THR A 59 8.283 1.262 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.023 2.268 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.512 0.876 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.805 0.900 5.492 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.510 2.313 4.670 1.00 0.00 H new ATOM 833 N ARG A 60 8.163 5.091 7.113 1.00 0.00 N ATOM 834 CA ARG A 60 8.399 6.445 6.625 1.00 0.00 C ATOM 835 C ARG A 60 9.858 6.628 6.215 1.00 0.00 C ATOM 836 O ARG A 60 10.770 6.330 6.985 1.00 0.00 O ATOM 837 CB ARG A 60 8.028 7.469 7.699 1.00 0.00 C ATOM 838 CG ARG A 60 7.977 8.899 7.185 1.00 0.00 C ATOM 839 CD ARG A 60 7.414 9.847 8.231 1.00 0.00 C ATOM 840 NE ARG A 60 6.086 9.438 8.682 1.00 0.00 N ATOM 841 CZ ARG A 60 5.390 10.092 9.605 1.00 0.00 C ATOM 842 NH1 ARG A 60 5.891 11.181 10.171 1.00 0.00 N ATOM 843 NH2 ARG A 60 4.188 9.657 9.963 1.00 0.00 N ATOM 0 H ARG A 60 8.855 4.757 7.784 1.00 0.00 H new ATOM 0 HA ARG A 60 7.770 6.604 5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.056 7.208 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.752 7.409 8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.979 9.221 6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.363 8.942 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.090 9.888 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.362 10.854 7.817 1.00 0.00 H new ATOM 0 HE ARG A 60 5.671 8.605 8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.814 11.519 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.354 11.681 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.798 8.820 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.654 10.160 10.672 1.00 0.00 H new ATOM 857 N GLN A 61 10.068 7.119 4.998 1.00 0.00 N ATOM 858 CA GLN A 61 11.415 7.340 4.486 1.00 0.00 C ATOM 859 C GLN A 61 11.479 8.617 3.655 1.00 0.00 C ATOM 860 O GLN A 61 10.956 8.671 2.542 1.00 0.00 O ATOM 861 CB GLN A 61 11.866 6.145 3.644 1.00 0.00 C ATOM 862 CG GLN A 61 12.170 4.902 4.464 1.00 0.00 C ATOM 863 CD GLN A 61 12.567 3.718 3.605 1.00 0.00 C ATOM 864 OE1 GLN A 61 11.728 3.108 2.943 1.00 0.00 O ATOM 865 NE2 GLN A 61 13.853 3.387 3.611 1.00 0.00 N ATOM 0 H GLN A 61 9.323 7.371 4.349 1.00 0.00 H new ATOM 0 HA GLN A 61 12.087 7.449 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.088 5.909 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.756 6.424 3.080 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.974 5.122 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.293 4.639 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.514 3.921 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.179 2.599 3.052 1.00 0.00 H new ATOM 874 N GLY A 62 12.123 9.643 4.203 1.00 0.00 N ATOM 875 CA GLY A 62 12.242 10.906 3.498 1.00 0.00 C ATOM 876 C GLY A 62 10.895 11.488 3.120 1.00 0.00 C ATOM 877 O GLY A 62 10.244 12.143 3.934 1.00 0.00 O ATOM 0 H GLY A 62 12.564 9.622 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.780 11.619 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.837 10.761 2.597 1.00 0.00 H new ATOM 881 N ARG A 63 10.476 11.252 1.881 1.00 0.00 N ATOM 882 CA ARG A 63 9.199 11.761 1.396 1.00 0.00 C ATOM 883 C ARG A 63 8.373 10.644 0.765 1.00 0.00 C ATOM 884 O ARG A 63 7.338 10.895 0.147 1.00 0.00 O ATOM 885 CB ARG A 63 9.425 12.880 0.377 1.00 0.00 C ATOM 886 CG ARG A 63 10.261 12.455 -0.819 1.00 0.00 C ATOM 887 CD ARG A 63 11.746 12.663 -0.564 1.00 0.00 C ATOM 888 NE ARG A 63 12.177 14.014 -0.912 1.00 0.00 N ATOM 889 CZ ARG A 63 12.230 14.470 -2.158 1.00 0.00 C ATOM 890 NH1 ARG A 63 11.881 13.687 -3.170 1.00 0.00 N ATOM 891 NH2 ARG A 63 12.634 15.712 -2.395 1.00 0.00 N ATOM 0 H ARG A 63 11.003 10.711 1.195 1.00 0.00 H new ATOM 0 HA ARG A 63 8.649 12.160 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.458 13.239 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.915 13.718 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.073 11.405 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.958 13.026 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.963 12.473 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.318 11.939 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 63 12.452 14.642 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.571 12.732 -2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.923 14.040 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.904 16.317 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.674 16.061 -3.353 1.00 0.00 H new ATOM 905 N LYS A 64 8.838 9.409 0.923 1.00 0.00 N ATOM 906 CA LYS A 64 8.144 8.253 0.370 1.00 0.00 C ATOM 907 C LYS A 64 7.551 7.392 1.481 1.00 0.00 C ATOM 908 O LYS A 64 8.104 7.310 2.578 1.00 0.00 O ATOM 909 CB LYS A 64 9.101 7.416 -0.482 1.00 0.00 C ATOM 910 CG LYS A 64 8.508 6.098 -0.947 1.00 0.00 C ATOM 911 CD LYS A 64 9.576 5.169 -1.500 1.00 0.00 C ATOM 912 CE LYS A 64 9.998 5.578 -2.903 1.00 0.00 C ATOM 913 NZ LYS A 64 10.975 4.619 -3.489 1.00 0.00 N ATOM 0 H LYS A 64 9.694 9.184 1.430 1.00 0.00 H new ATOM 0 HA LYS A 64 7.331 8.616 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.401 7.997 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.005 7.215 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.999 5.613 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.756 6.287 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.444 5.177 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.198 4.147 -1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.118 5.638 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.440 6.574 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.174 4.885 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.858 4.643 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.577 3.658 -3.463 1.00 0.00 H new ATOM 927 N TYR A 65 6.425 6.750 1.189 1.00 0.00 N ATOM 928 CA TYR A 65 5.757 5.896 2.164 1.00 0.00 C ATOM 929 C TYR A 65 5.574 4.484 1.616 1.00 0.00 C ATOM 930 O TYR A 65 5.232 4.299 0.448 1.00 0.00 O ATOM 931 CB TYR A 65 4.399 6.487 2.546 1.00 0.00 C ATOM 932 CG TYR A 65 4.468 7.935 2.978 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.456 8.961 2.041 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.547 8.276 4.322 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.520 10.285 2.431 1.00 0.00 C ATOM 936 CE2 TYR A 65 4.610 9.597 4.721 1.00 0.00 C ATOM 937 CZ TYR A 65 4.596 10.598 3.772 1.00 0.00 C ATOM 938 OH TYR A 65 4.660 11.915 4.165 1.00 0.00 O ATOM 0 H TYR A 65 5.956 6.805 0.285 1.00 0.00 H new ATOM 0 HA TYR A 65 6.385 5.843 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.723 6.402 1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.969 5.896 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.396 8.719 0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.559 7.495 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.511 11.070 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.670 9.845 5.770 1.00 0.00 H new ATOM 0 HH TYR A 65 4.708 11.963 5.143 1.00 0.00 H new ATOM 948 N ILE A 66 5.804 3.491 2.469 1.00 0.00 N ATOM 949 CA ILE A 66 5.663 2.096 2.072 1.00 0.00 C ATOM 950 C ILE A 66 4.776 1.333 3.049 1.00 0.00 C ATOM 951 O ILE A 66 5.064 1.267 4.245 1.00 0.00 O ATOM 952 CB ILE A 66 7.032 1.395 1.984 1.00 0.00 C ATOM 953 CG1 ILE A 66 7.997 2.217 1.128 1.00 0.00 C ATOM 954 CG2 ILE A 66 6.873 -0.007 1.414 1.00 0.00 C ATOM 955 CD1 ILE A 66 8.714 3.303 1.900 1.00 0.00 C ATOM 0 H ILE A 66 6.089 3.627 3.439 1.00 0.00 H new ATOM 0 HA ILE A 66 5.198 2.094 1.086 1.00 0.00 H new ATOM 0 HB ILE A 66 7.447 1.314 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.736 1.549 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.444 2.671 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.849 -0.490 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.216 -0.590 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.440 0.053 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.381 3.845 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.983 3.993 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.295 2.854 2.706 1.00 0.00 H new ATOM 967 N LEU A 67 3.696 0.757 2.533 1.00 0.00 N ATOM 968 CA LEU A 67 2.766 -0.004 3.360 1.00 0.00 C ATOM 969 C LEU A 67 2.964 -1.504 3.164 1.00 0.00 C ATOM 970 O LEU A 67 2.221 -2.148 2.424 1.00 0.00 O ATOM 971 CB LEU A 67 1.323 0.379 3.024 1.00 0.00 C ATOM 972 CG LEU A 67 0.236 -0.304 3.855 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.386 0.053 5.326 1.00 0.00 C ATOM 974 CD2 LEU A 67 -1.145 0.083 3.348 1.00 0.00 C ATOM 0 H LEU A 67 3.443 0.802 1.546 1.00 0.00 H new ATOM 0 HA LEU A 67 2.966 0.237 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.218 1.458 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.144 0.154 1.973 1.00 0.00 H new ATOM 0 HG LEU A 67 0.350 -1.383 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.396 -0.442 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.362 -0.275 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.299 1.133 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.906 -0.412 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.270 1.163 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.250 -0.224 2.308 1.00 0.00 H new ATOM 986 N VAL A 68 3.971 -2.055 3.835 1.00 0.00 N ATOM 987 CA VAL A 68 4.266 -3.479 3.738 1.00 0.00 C ATOM 988 C VAL A 68 3.111 -4.317 4.274 1.00 0.00 C ATOM 989 O VAL A 68 2.760 -4.229 5.451 1.00 0.00 O ATOM 990 CB VAL A 68 5.550 -3.841 4.508 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.979 -5.265 4.192 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.662 -2.855 4.181 1.00 0.00 C ATOM 0 H VAL A 68 4.596 -1.536 4.452 1.00 0.00 H new ATOM 0 HA VAL A 68 4.412 -3.700 2.681 1.00 0.00 H new ATOM 0 HB VAL A 68 5.342 -3.779 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.888 -5.502 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.187 -5.956 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.170 -5.359 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.562 -3.125 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.870 -2.883 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.351 -1.849 4.464 1.00 0.00 H new ATOM 1002 N VAL A 69 2.523 -5.132 3.404 1.00 0.00 N ATOM 1003 CA VAL A 69 1.408 -5.988 3.790 1.00 0.00 C ATOM 1004 C VAL A 69 1.870 -7.424 4.014 1.00 0.00 C ATOM 1005 O VAL A 69 2.468 -8.039 3.131 1.00 0.00 O ATOM 1006 CB VAL A 69 0.297 -5.978 2.724 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.864 -6.863 3.153 1.00 0.00 C ATOM 1008 CG2 VAL A 69 -0.176 -4.556 2.461 1.00 0.00 C ATOM 0 H VAL A 69 2.801 -5.217 2.426 1.00 0.00 H new ATOM 0 HA VAL A 69 1.010 -5.588 4.722 1.00 0.00 H new ATOM 0 HB VAL A 69 0.705 -6.379 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.639 -6.843 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.512 -7.886 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.274 -6.495 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.961 -4.568 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.567 -4.126 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.661 -3.954 2.106 1.00 0.00 H new ATOM 1018 N ARG A 70 1.586 -7.953 5.200 1.00 0.00 N ATOM 1019 CA ARG A 70 1.973 -9.317 5.540 1.00 0.00 C ATOM 1020 C ARG A 70 0.742 -10.192 5.758 1.00 0.00 C ATOM 1021 O ARG A 70 -0.318 -9.703 6.145 1.00 0.00 O ATOM 1022 CB ARG A 70 2.846 -9.324 6.796 1.00 0.00 C ATOM 1023 CG ARG A 70 3.991 -8.325 6.748 1.00 0.00 C ATOM 1024 CD ARG A 70 5.069 -8.664 7.765 1.00 0.00 C ATOM 1025 NE ARG A 70 4.609 -8.462 9.137 1.00 0.00 N ATOM 1026 CZ ARG A 70 5.393 -8.592 10.201 1.00 0.00 C ATOM 1027 NH1 ARG A 70 6.669 -8.920 10.053 1.00 0.00 N ATOM 1028 NH2 ARG A 70 4.902 -8.391 11.417 1.00 0.00 N ATOM 0 H ARG A 70 1.090 -7.458 5.941 1.00 0.00 H new ATOM 0 HA ARG A 70 2.545 -9.725 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.222 -9.107 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.254 -10.325 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.424 -8.314 5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.609 -7.323 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.377 -9.701 7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.948 -8.045 7.582 1.00 0.00 H new ATOM 0 HE ARG A 70 3.633 -8.207 9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.051 -9.073 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.268 -9.019 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.921 -8.136 11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.505 -8.491 12.233 1.00 0.00 H new ATOM 1042 N GLU A 71 0.893 -11.489 5.506 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.207 -12.431 5.673 1.00 0.00 C ATOM 1044 C GLU A 71 -1.395 -12.043 4.797 1.00 0.00 C ATOM 1045 O GLU A 71 -2.520 -11.915 5.280 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.639 -12.490 7.140 1.00 0.00 C ATOM 1047 CG GLU A 71 0.170 -13.470 7.974 1.00 0.00 C ATOM 1048 CD GLU A 71 -0.552 -13.896 9.237 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -1.512 -14.688 9.134 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -0.157 -13.437 10.329 1.00 0.00 O ATOM 0 H GLU A 71 1.765 -11.910 5.186 1.00 0.00 H new ATOM 0 HA GLU A 71 0.143 -13.416 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.550 -11.495 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.692 -12.767 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.396 -14.352 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.123 -13.014 8.241 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.135 -11.856 3.507 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.182 -11.483 2.564 1.00 0.00 C ATOM 1059 C ALA A 72 -3.288 -12.532 2.528 1.00 0.00 C ATOM 1060 O ALA A 72 -3.128 -13.634 3.052 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.594 -11.286 1.174 1.00 0.00 C ATOM 0 H ALA A 72 -0.209 -11.957 3.092 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.620 -10.543 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.387 -11.008 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.844 -10.495 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.129 -12.214 0.841 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.410 -12.181 1.909 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.543 -13.093 1.805 1.00 0.00 C ATOM 1069 C ALA A 73 -6.475 -12.684 0.670 1.00 0.00 C ATOM 1070 O ALA A 73 -6.502 -11.529 0.242 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.302 -13.145 3.122 1.00 0.00 C ATOM 0 H ALA A 73 -4.559 -11.272 1.472 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.157 -14.088 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.145 -13.830 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.637 -13.493 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.669 -12.149 3.370 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.258 -13.650 0.168 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.207 -13.413 -0.924 1.00 0.00 C ATOM 1079 C PRO A 74 -9.385 -12.547 -0.492 1.00 0.00 C ATOM 1080 O PRO A 74 -10.292 -12.278 -1.279 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.684 -14.820 -1.291 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.492 -15.621 -0.049 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.279 -15.048 0.630 1.00 0.00 C ATOM 0 HA PRO A 74 -7.748 -12.874 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.729 -14.815 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.107 -15.230 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.368 -15.556 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.346 -16.676 -0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.358 -15.111 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.371 -15.579 0.345 1.00 0.00 H new ATOM 1091 N SER A 75 -9.364 -12.112 0.764 1.00 0.00 N ATOM 1092 CA SER A 75 -10.432 -11.278 1.302 1.00 0.00 C ATOM 1093 C SER A 75 -10.039 -9.804 1.272 1.00 0.00 C ATOM 1094 O SER A 75 -10.886 -8.928 1.095 1.00 0.00 O ATOM 1095 CB SER A 75 -10.765 -11.700 2.735 1.00 0.00 C ATOM 1096 OG SER A 75 -11.305 -13.009 2.769 1.00 0.00 O ATOM 0 H SER A 75 -8.619 -12.323 1.428 1.00 0.00 H new ATOM 0 HA SER A 75 -11.314 -11.413 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.865 -11.659 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.478 -10.998 3.168 1.00 0.00 H new ATOM 0 HG SER A 75 -11.508 -13.255 3.696 1.00 0.00 H new ATOM 1102 N ASP A 76 -8.749 -9.539 1.446 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.242 -8.172 1.438 1.00 0.00 C ATOM 1104 C ASP A 76 -8.251 -7.597 0.025 1.00 0.00 C ATOM 1105 O ASP A 76 -8.261 -6.381 -0.161 1.00 0.00 O ATOM 1106 CB ASP A 76 -6.825 -8.128 2.011 1.00 0.00 C ATOM 1107 CG ASP A 76 -6.625 -9.122 3.138 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -6.577 -10.337 2.856 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.518 -8.685 4.304 1.00 0.00 O ATOM 0 H ASP A 76 -8.036 -10.253 1.594 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.897 -7.564 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.108 -8.335 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.615 -7.123 2.376 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.245 -8.481 -0.967 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.254 -8.062 -2.364 1.00 0.00 C ATOM 1116 C ALA A 77 -9.440 -7.150 -2.656 1.00 0.00 C ATOM 1117 O ALA A 77 -10.593 -7.575 -2.593 1.00 0.00 O ATOM 1118 CB ALA A 77 -8.282 -9.277 -3.279 1.00 0.00 C ATOM 0 H ALA A 77 -8.234 -9.492 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.341 -7.498 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.288 -8.949 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.399 -9.890 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.178 -9.863 -3.078 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.149 -5.892 -2.975 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.203 -4.939 -3.272 1.00 0.00 C ATOM 1126 C GLY A 78 -9.680 -3.689 -3.951 1.00 0.00 C ATOM 1127 O GLY A 78 -9.550 -3.648 -5.173 1.00 0.00 O ATOM 0 H GLY A 78 -8.203 -5.516 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.947 -5.413 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.709 -4.662 -2.347 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.381 -2.666 -3.155 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.872 -1.408 -3.689 1.00 0.00 C ATOM 1133 C GLU A 79 -8.142 -0.616 -2.608 1.00 0.00 C ATOM 1134 O GLU A 79 -8.744 -0.182 -1.626 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.017 -0.572 -4.264 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.579 0.792 -4.771 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.723 1.584 -5.374 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.720 1.822 -4.661 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -10.621 1.967 -6.558 1.00 0.00 O ATOM 0 H GLU A 79 -9.482 -2.684 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.166 -1.639 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.482 -1.122 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.779 -0.438 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.143 1.359 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.797 0.664 -5.519 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.839 -0.431 -2.797 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.025 0.310 -1.840 1.00 0.00 C ATOM 1148 C VAL A 80 -6.123 1.812 -2.082 1.00 0.00 C ATOM 1149 O VAL A 80 -5.777 2.303 -3.156 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.547 -0.115 -1.914 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.702 0.724 -0.967 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.402 -1.596 -1.599 1.00 0.00 C ATOM 0 H VAL A 80 -6.325 -0.784 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.413 0.079 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.189 0.054 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.660 0.409 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.782 1.775 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.058 0.589 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.351 -1.879 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.777 -1.793 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.974 -2.179 -2.320 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.598 2.538 -1.075 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.741 3.985 -1.176 1.00 0.00 C ATOM 1164 C VAL A 81 -5.835 4.698 -0.179 1.00 0.00 C ATOM 1165 O VAL A 81 -6.006 4.570 1.033 1.00 0.00 O ATOM 1166 CB VAL A 81 -8.198 4.424 -0.935 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.314 5.940 -0.981 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -9.124 3.778 -1.954 1.00 0.00 C ATOM 0 H VAL A 81 -6.890 2.147 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.449 4.261 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.500 4.091 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.350 6.231 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.681 6.377 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.994 6.300 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.149 4.099 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.825 4.078 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.062 2.693 -1.866 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.870 5.451 -0.698 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.935 6.185 0.148 1.00 0.00 C ATOM 1180 C PHE A 82 -4.347 7.649 0.270 1.00 0.00 C ATOM 1181 O PHE A 82 -5.139 8.151 -0.528 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.517 6.087 -0.420 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.513 6.911 0.334 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.251 6.657 1.670 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.830 7.940 -0.295 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.327 7.413 2.366 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.095 8.699 0.396 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.347 8.436 1.728 1.00 0.00 C ATOM 0 H PHE A 82 -4.715 5.569 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.953 5.737 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.201 5.044 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.528 6.406 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.775 5.858 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.023 8.151 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.132 7.204 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.621 9.498 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.069 9.029 2.270 1.00 0.00 H new ATOM 1198 N SER A 83 -3.804 8.328 1.275 1.00 0.00 N ATOM 1199 CA SER A 83 -4.117 9.734 1.505 1.00 0.00 C ATOM 1200 C SER A 83 -2.963 10.439 2.211 1.00 0.00 C ATOM 1201 O SER A 83 -2.220 9.824 2.976 1.00 0.00 O ATOM 1202 CB SER A 83 -5.395 9.864 2.336 1.00 0.00 C ATOM 1203 OG SER A 83 -5.415 8.918 3.392 1.00 0.00 O ATOM 0 H SER A 83 -3.145 7.928 1.943 1.00 0.00 H new ATOM 0 HA SER A 83 -4.272 10.210 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.466 10.872 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.265 9.718 1.696 1.00 0.00 H new ATOM 0 HG SER A 83 -4.516 8.550 3.519 1.00 0.00 H new ATOM 1209 N VAL A 84 -2.820 11.734 1.949 1.00 0.00 N ATOM 1210 CA VAL A 84 -1.758 12.525 2.560 1.00 0.00 C ATOM 1211 C VAL A 84 -2.027 14.018 2.406 1.00 0.00 C ATOM 1212 O VAL A 84 -2.372 14.488 1.322 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.387 12.195 1.942 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.375 12.530 0.458 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.720 12.939 2.674 1.00 0.00 C ATOM 0 H VAL A 84 -3.426 12.258 1.318 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.742 12.269 3.619 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.207 11.125 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.602 12.290 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.142 11.948 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.577 13.593 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.682 12.694 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.548 14.013 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.725 12.644 3.723 1.00 0.00 H new ATOM 1225 N ARG A 85 -1.866 14.758 3.498 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.092 16.198 3.485 1.00 0.00 C ATOM 1227 C ARG A 85 -3.181 16.569 2.482 1.00 0.00 C ATOM 1228 O ARG A 85 -3.062 17.555 1.756 1.00 0.00 O ATOM 1229 CB ARG A 85 -0.796 16.936 3.142 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.085 16.381 1.919 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.718 16.884 0.630 1.00 0.00 C ATOM 1232 NE ARG A 85 -0.914 18.331 0.645 1.00 0.00 N ATOM 1233 CZ ARG A 85 0.080 19.208 0.564 1.00 0.00 C ATOM 1234 NH1 ARG A 85 1.334 18.787 0.461 1.00 0.00 N ATOM 1235 NH2 ARG A 85 -0.178 20.510 0.584 1.00 0.00 N ATOM 0 H ARG A 85 -1.580 14.384 4.403 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.421 16.497 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.021 17.989 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.122 16.886 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.966 16.669 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.118 15.292 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.085 16.613 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.678 16.390 0.481 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.867 18.688 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.537 17.787 0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.095 19.463 0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.141 20.838 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.586 21.182 0.522 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.243 15.770 2.448 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.338 16.029 1.531 1.00 0.00 C ATOM 1251 C GLY A 86 -5.318 15.107 0.329 1.00 0.00 C ATOM 1252 O GLY A 86 -6.343 14.529 -0.037 1.00 0.00 O ATOM 0 H GLY A 86 -4.365 14.948 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.285 15.913 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.287 17.064 1.192 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.151 14.968 -0.289 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.002 14.109 -1.460 1.00 0.00 C ATOM 1258 C LEU A 87 -4.590 12.726 -1.199 1.00 0.00 C ATOM 1259 O LEU A 87 -4.671 12.279 -0.054 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.526 13.985 -1.841 1.00 0.00 C ATOM 1261 CG LEU A 87 -1.985 15.055 -2.791 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.487 14.887 -2.986 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.709 14.996 -4.128 1.00 0.00 C ATOM 0 H LEU A 87 -3.294 15.439 0.000 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.547 14.565 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.933 14.006 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.371 13.008 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.165 16.034 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.120 15.657 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.018 14.980 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.283 13.903 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.311 15.764 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.561 14.015 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.774 15.167 -3.973 1.00 0.00 H new ATOM 1275 N THR A 88 -4.998 12.051 -2.269 1.00 0.00 N ATOM 1276 CA THR A 88 -5.577 10.718 -2.156 1.00 0.00 C ATOM 1277 C THR A 88 -5.355 9.913 -3.431 1.00 0.00 C ATOM 1278 O THR A 88 -5.607 10.397 -4.535 1.00 0.00 O ATOM 1279 CB THR A 88 -7.088 10.785 -1.861 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.327 11.609 -0.715 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.654 9.394 -1.620 1.00 0.00 C ATOM 0 H THR A 88 -4.938 12.405 -3.224 1.00 0.00 H new ATOM 0 HA THR A 88 -5.074 10.224 -1.325 1.00 0.00 H new ATOM 0 HB THR A 88 -7.587 11.217 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.290 11.648 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.722 9.466 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.496 8.779 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.150 8.939 -0.767 1.00 0.00 H new ATOM 1289 N SER A 89 -4.883 8.680 -3.273 1.00 0.00 N ATOM 1290 CA SER A 89 -4.625 7.808 -4.412 1.00 0.00 C ATOM 1291 C SER A 89 -5.397 6.499 -4.281 1.00 0.00 C ATOM 1292 O SER A 89 -5.896 6.164 -3.207 1.00 0.00 O ATOM 1293 CB SER A 89 -3.127 7.520 -4.531 1.00 0.00 C ATOM 1294 OG SER A 89 -2.452 8.584 -5.179 1.00 0.00 O ATOM 0 H SER A 89 -4.672 8.263 -2.367 1.00 0.00 H new ATOM 0 HA SER A 89 -4.963 8.320 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.703 7.367 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.975 6.596 -5.088 1.00 0.00 H new ATOM 0 HG SER A 89 -1.533 8.312 -5.384 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.493 5.763 -5.384 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.204 4.490 -5.395 1.00 0.00 C ATOM 1302 C LYS A 90 -5.409 3.430 -6.150 1.00 0.00 C ATOM 1303 O LYS A 90 -4.604 3.750 -7.025 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.584 4.659 -6.033 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.637 5.188 -5.074 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.662 6.707 -5.057 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.564 7.263 -6.148 1.00 0.00 C ATOM 1308 NZ LYS A 90 -8.904 7.231 -7.483 1.00 0.00 N ATOM 0 H LYS A 90 -5.087 6.027 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.326 4.161 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.502 5.339 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.913 3.697 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.617 4.810 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.436 4.815 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.009 7.055 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.650 7.090 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.487 6.685 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.840 8.289 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.311 7.972 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.884 7.398 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.056 6.301 -7.923 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.641 2.167 -5.808 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.949 1.060 -6.456 1.00 0.00 C ATOM 1324 C ALA A 91 -5.709 -0.248 -6.269 1.00 0.00 C ATOM 1325 O ALA A 91 -6.619 -0.336 -5.444 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.533 0.933 -5.914 1.00 0.00 C ATOM 0 H ALA A 91 -6.303 1.885 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.900 1.271 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.028 0.102 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.986 1.856 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.570 0.750 -4.840 1.00 0.00 H new ATOM 1332 N SER A 92 -5.331 -1.263 -7.039 1.00 0.00 N ATOM 1333 CA SER A 92 -5.981 -2.566 -6.961 1.00 0.00 C ATOM 1334 C SER A 92 -4.998 -3.636 -6.495 1.00 0.00 C ATOM 1335 O SER A 92 -3.869 -3.713 -6.982 1.00 0.00 O ATOM 1336 CB SER A 92 -6.564 -2.951 -8.322 1.00 0.00 C ATOM 1337 OG SER A 92 -7.791 -2.282 -8.558 1.00 0.00 O ATOM 0 H SER A 92 -4.578 -1.208 -7.724 1.00 0.00 H new ATOM 0 HA SER A 92 -6.790 -2.498 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.853 -2.702 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.720 -4.029 -8.363 1.00 0.00 H new ATOM 0 HG SER A 92 -8.143 -2.543 -9.435 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.435 -4.459 -5.549 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.595 -5.526 -5.015 1.00 0.00 C ATOM 1345 C LEU A 93 -5.064 -6.889 -5.513 1.00 0.00 C ATOM 1346 O LEU A 93 -6.263 -7.171 -5.544 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.608 -5.497 -3.486 1.00 0.00 C ATOM 1348 CG LEU A 93 -4.057 -6.739 -2.786 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.547 -6.818 -2.948 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.437 -6.734 -1.313 1.00 0.00 C ATOM 0 H LEU A 93 -6.366 -4.408 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.576 -5.362 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.033 -4.633 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.635 -5.343 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.498 -7.620 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.173 -7.709 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.297 -6.870 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.087 -5.932 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.036 -7.626 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.025 -5.846 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.523 -6.727 -1.217 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.113 -7.732 -5.900 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.429 -9.067 -6.393 1.00 0.00 C ATOM 1364 C ILE A 94 -3.948 -10.140 -5.422 1.00 0.00 C ATOM 1365 O ILE A 94 -2.959 -9.952 -4.713 1.00 0.00 O ATOM 1366 CB ILE A 94 -3.799 -9.321 -7.775 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -3.677 -8.009 -8.553 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.625 -10.332 -8.556 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.996 -7.504 -9.095 1.00 0.00 C ATOM 0 H ILE A 94 -3.117 -7.514 -5.882 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.514 -9.121 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.799 -9.731 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.246 -7.249 -7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.983 -8.150 -9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.167 -10.501 -9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.665 -11.272 -8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.636 -9.948 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.834 -6.571 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.419 -8.246 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.686 -7.330 -8.269 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.653 -11.267 -5.396 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.296 -12.372 -4.515 1.00 0.00 C ATOM 1383 C VAL A 95 -4.643 -13.714 -5.149 1.00 0.00 C ATOM 1384 O VAL A 95 -5.816 -14.048 -5.318 1.00 0.00 O ATOM 1385 CB VAL A 95 -5.011 -12.259 -3.155 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.624 -13.418 -2.250 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.691 -10.926 -2.495 1.00 0.00 C ATOM 0 H VAL A 95 -5.475 -11.438 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.219 -12.316 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.087 -12.306 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.139 -13.321 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.909 -14.359 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.547 -13.406 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.204 -10.863 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.615 -10.847 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.024 -10.112 -3.139 1.00 0.00 H new ATOM 1397 N ARG A 96 -3.615 -14.481 -5.497 1.00 0.00 N ATOM 1398 CA ARG A 96 -3.811 -15.788 -6.113 1.00 0.00 C ATOM 1399 C ARG A 96 -3.633 -16.904 -5.088 1.00 0.00 C ATOM 1400 O ARG A 96 -2.564 -17.053 -4.498 1.00 0.00 O ATOM 1401 CB ARG A 96 -2.829 -15.982 -7.270 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.055 -15.024 -8.428 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.060 -15.582 -9.424 1.00 0.00 C ATOM 1404 NE ARG A 96 -3.561 -16.780 -10.094 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.348 -17.690 -10.655 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -5.665 -17.540 -10.629 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -3.818 -18.754 -11.246 1.00 0.00 N ATOM 0 H ARG A 96 -2.638 -14.220 -5.363 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.830 -15.831 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.812 -15.855 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.909 -17.006 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.412 -14.068 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.108 -14.832 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.990 -15.817 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.293 -14.821 -10.169 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.552 -16.925 -10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.076 -16.723 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.267 -18.241 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.805 -18.873 -11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.424 -19.453 -11.677 1.00 0.00 H new ATOM 1421 N GLU A 97 -4.689 -17.685 -4.883 1.00 0.00 N ATOM 1422 CA GLU A 97 -4.649 -18.787 -3.928 1.00 0.00 C ATOM 1423 C GLU A 97 -3.658 -19.858 -4.375 1.00 0.00 C ATOM 1424 O GLU A 97 -3.635 -20.250 -5.542 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.041 -19.401 -3.766 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.493 -20.212 -4.968 1.00 0.00 C ATOM 1427 CD GLU A 97 -7.998 -20.389 -5.021 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -8.610 -20.592 -3.951 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -8.564 -20.325 -6.132 1.00 0.00 O ATOM 0 H GLU A 97 -5.582 -17.576 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.320 -18.390 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.046 -20.041 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.762 -18.603 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.157 -19.720 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.017 -21.192 -4.940 1.00 0.00 H new ATOM 1436 N ARG A 98 -2.840 -20.327 -3.438 1.00 0.00 N ATOM 1437 CA ARG A 98 -1.846 -21.351 -3.734 1.00 0.00 C ATOM 1438 C ARG A 98 -2.513 -22.627 -4.237 1.00 0.00 C ATOM 1439 O ARG A 98 -2.300 -23.044 -5.375 1.00 0.00 O ATOM 1440 CB ARG A 98 -1.010 -21.656 -2.489 1.00 0.00 C ATOM 1441 CG ARG A 98 0.130 -22.627 -2.744 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.347 -24.071 -2.698 1.00 0.00 C ATOM 1443 NE ARG A 98 0.763 -25.010 -2.565 1.00 0.00 N ATOM 1444 CZ ARG A 98 0.613 -26.330 -2.565 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -0.594 -26.863 -2.690 1.00 0.00 N ATOM 1446 NH2 ARG A 98 1.672 -27.119 -2.440 1.00 0.00 N ATOM 0 H ARG A 98 -2.846 -20.014 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.192 -20.970 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.602 -20.724 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.660 -22.067 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.574 -22.420 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.911 -22.477 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.033 -24.200 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.906 -24.297 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 98 1.705 -24.632 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.411 -26.259 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.706 -27.877 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.602 -26.712 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.556 -28.132 -2.440 1.00 0.00 H new ATOM 1460 N SER A 99 -3.321 -23.244 -3.380 1.00 0.00 N ATOM 1461 CA SER A 99 -4.017 -24.475 -3.736 1.00 0.00 C ATOM 1462 C SER A 99 -4.778 -24.310 -5.048 1.00 0.00 C ATOM 1463 O SER A 99 -5.420 -23.287 -5.281 1.00 0.00 O ATOM 1464 CB SER A 99 -4.982 -24.881 -2.621 1.00 0.00 C ATOM 1465 OG SER A 99 -4.281 -25.211 -1.434 1.00 0.00 O ATOM 0 H SER A 99 -3.510 -22.911 -2.434 1.00 0.00 H new ATOM 0 HA SER A 99 -3.272 -25.260 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.676 -24.065 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.578 -25.735 -2.944 1.00 0.00 H new ATOM 0 HG SER A 99 -4.921 -25.465 -0.736 1.00 0.00 H new ATOM 1471 N GLY A 100 -4.701 -25.326 -5.902 1.00 0.00 N ATOM 1472 CA GLY A 100 -5.386 -25.275 -7.180 1.00 0.00 C ATOM 1473 C GLY A 100 -4.981 -26.408 -8.101 1.00 0.00 C ATOM 1474 O GLY A 100 -4.466 -27.438 -7.664 1.00 0.00 O ATOM 0 H GLY A 100 -4.176 -26.184 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.462 -25.314 -7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.173 -24.323 -7.665 1.00 0.00 H new ATOM 1478 N PRO A 101 -5.216 -26.226 -9.409 1.00 0.00 N ATOM 1479 CA PRO A 101 -4.880 -27.231 -10.421 1.00 0.00 C ATOM 1480 C PRO A 101 -3.375 -27.381 -10.613 1.00 0.00 C ATOM 1481 O PRO A 101 -2.908 -28.358 -11.198 1.00 0.00 O ATOM 1482 CB PRO A 101 -5.529 -26.683 -11.695 1.00 0.00 C ATOM 1483 CG PRO A 101 -5.608 -25.211 -11.476 1.00 0.00 C ATOM 1484 CD PRO A 101 -5.827 -25.023 -10.000 1.00 0.00 C ATOM 0 HA PRO A 101 -5.231 -28.224 -10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.934 -26.921 -12.577 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.518 -27.114 -11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.691 -24.718 -11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.425 -24.774 -12.050 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.353 -24.111 -9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.887 -24.950 -9.757 1.00 0.00 H new ATOM 1492 N SER A 102 -2.620 -26.407 -10.115 1.00 0.00 N ATOM 1493 CA SER A 102 -1.166 -26.429 -10.234 1.00 0.00 C ATOM 1494 C SER A 102 -0.627 -27.843 -10.040 1.00 0.00 C ATOM 1495 O SER A 102 -0.568 -28.348 -8.918 1.00 0.00 O ATOM 1496 CB SER A 102 -0.535 -25.485 -9.210 1.00 0.00 C ATOM 1497 OG SER A 102 -0.542 -26.059 -7.914 1.00 0.00 O ATOM 0 H SER A 102 -2.991 -25.593 -9.625 1.00 0.00 H new ATOM 0 HA SER A 102 -0.903 -26.093 -11.237 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.489 -25.257 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.081 -24.541 -9.196 1.00 0.00 H new ATOM 0 HG SER A 102 -0.506 -27.036 -7.989 1.00 0.00 H new ATOM 1503 N SER A 103 -0.235 -28.477 -11.140 1.00 0.00 N ATOM 1504 CA SER A 103 0.296 -29.834 -11.093 1.00 0.00 C ATOM 1505 C SER A 103 1.459 -29.928 -10.110 1.00 0.00 C ATOM 1506 O SER A 103 1.809 -28.951 -9.450 1.00 0.00 O ATOM 1507 CB SER A 103 0.753 -30.275 -12.485 1.00 0.00 C ATOM 1508 OG SER A 103 1.435 -31.516 -12.429 1.00 0.00 O ATOM 0 H SER A 103 -0.275 -28.072 -12.075 1.00 0.00 H new ATOM 0 HA SER A 103 -0.499 -30.497 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.111 -30.361 -13.144 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.407 -29.516 -12.914 1.00 0.00 H new ATOM 0 HG SER A 103 1.715 -31.776 -13.331 1.00 0.00 H new ATOM 1514 N GLY A 104 2.055 -31.113 -10.019 1.00 0.00 N ATOM 1515 CA GLY A 104 3.172 -31.315 -9.115 1.00 0.00 C ATOM 1516 C GLY A 104 4.450 -31.681 -9.845 1.00 0.00 C ATOM 1517 O GLY A 104 4.472 -32.623 -10.637 1.00 0.00 O ATOM 0 H GLY A 104 1.784 -31.937 -10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.336 -30.406 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.923 -32.105 -8.406 1.00 0.00 H new TER 1521 GLY A 104