USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 656 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 THR OG1 : rot -44:sc= 0.93 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.443 K(o=1.4,f=-2.9!) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -156:sc=-0.00297 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0418 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= -0.178 (180deg=-1.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 53:sc= 0.623 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00361) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.77) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.627 -18.655 22.948 1.00 0.00 N ATOM 2 CA MET A 1 -1.669 -17.616 22.473 1.00 0.00 C ATOM 3 C MET A 1 -0.996 -16.934 23.668 1.00 0.00 C ATOM 4 O MET A 1 -1.543 -16.877 24.751 1.00 0.00 O ATOM 5 CB MET A 1 -2.522 -16.615 21.694 1.00 0.00 C ATOM 6 CG MET A 1 -2.604 -17.046 20.229 1.00 0.00 C ATOM 7 SD MET A 1 -1.083 -16.565 19.373 1.00 0.00 S ATOM 8 CE MET A 1 -1.565 -17.129 17.723 1.00 0.00 C ATOM 0 H1 MET A 1 -3.439 -18.700 22.300 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.152 -19.580 22.973 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.959 -18.411 23.903 1.00 0.00 H new ATOM 0 HA MET A 1 -0.874 -18.037 21.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.522 -16.560 22.125 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.089 -15.617 21.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.745 -18.125 20.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.466 -16.582 19.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.758 -16.927 17.019 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.765 -18.200 17.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.464 -16.600 17.406 1.00 0.00 H new ATOM 20 N LYS A 2 0.186 -16.415 23.479 1.00 0.00 N ATOM 21 CA LYS A 2 0.892 -15.737 24.606 1.00 0.00 C ATOM 22 C LYS A 2 1.364 -14.345 24.176 1.00 0.00 C ATOM 23 O LYS A 2 2.471 -13.938 24.471 1.00 0.00 O ATOM 24 CB LYS A 2 2.087 -16.636 24.924 1.00 0.00 C ATOM 25 CG LYS A 2 2.158 -16.875 26.434 1.00 0.00 C ATOM 26 CD LYS A 2 3.144 -18.010 26.729 1.00 0.00 C ATOM 27 CE LYS A 2 2.417 -19.356 26.654 1.00 0.00 C ATOM 28 NZ LYS A 2 1.510 -19.374 27.836 1.00 0.00 N ATOM 0 H LYS A 2 0.694 -16.430 22.595 1.00 0.00 H new ATOM 0 HA LYS A 2 0.246 -15.597 25.473 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.991 -17.586 24.399 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.009 -16.171 24.575 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.474 -15.964 26.942 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.170 -17.128 26.819 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.964 -17.988 26.012 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.582 -17.877 27.718 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.855 -19.449 25.725 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.122 -20.187 26.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.442 -20.343 28.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.889 -18.747 28.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.565 -19.045 27.553 1.00 0.00 H new ATOM 42 N LEU A 3 0.538 -13.611 23.483 1.00 0.00 N ATOM 43 CA LEU A 3 0.946 -12.247 23.039 1.00 0.00 C ATOM 44 C LEU A 3 1.115 -11.326 24.251 1.00 0.00 C ATOM 45 O LEU A 3 0.171 -10.725 24.725 1.00 0.00 O ATOM 46 CB LEU A 3 -0.198 -11.761 22.147 1.00 0.00 C ATOM 47 CG LEU A 3 0.114 -12.102 20.689 1.00 0.00 C ATOM 48 CD1 LEU A 3 -1.134 -11.872 19.835 1.00 0.00 C ATOM 49 CD2 LEU A 3 1.249 -11.206 20.187 1.00 0.00 C ATOM 0 H LEU A 3 -0.401 -13.896 23.205 1.00 0.00 H new ATOM 0 HA LEU A 3 1.899 -12.252 22.510 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.134 -12.230 22.449 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.330 -10.685 22.260 1.00 0.00 H new ATOM 0 HG LEU A 3 0.417 -13.146 20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.913 -12.115 18.795 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.942 -12.510 20.193 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.437 -10.827 19.907 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.472 -11.449 19.148 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.947 -10.161 20.259 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.138 -11.369 20.796 1.00 0.00 H new ATOM 61 N LYS A 4 2.313 -11.213 24.757 1.00 0.00 N ATOM 62 CA LYS A 4 2.545 -10.335 25.939 1.00 0.00 C ATOM 63 C LYS A 4 2.392 -8.863 25.547 1.00 0.00 C ATOM 64 O LYS A 4 2.081 -8.022 26.367 1.00 0.00 O ATOM 65 CB LYS A 4 3.982 -10.630 26.372 1.00 0.00 C ATOM 66 CG LYS A 4 4.945 -10.240 25.249 1.00 0.00 C ATOM 67 CD LYS A 4 6.381 -10.264 25.775 1.00 0.00 C ATOM 68 CE LYS A 4 7.294 -10.917 24.734 1.00 0.00 C ATOM 69 NZ LYS A 4 8.670 -10.481 25.101 1.00 0.00 N ATOM 0 H LYS A 4 3.141 -11.691 24.403 1.00 0.00 H new ATOM 0 HA LYS A 4 1.830 -10.523 26.740 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.221 -10.075 27.279 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.092 -11.688 26.608 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.842 -10.930 24.412 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.700 -9.246 24.875 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.719 -9.250 25.986 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.427 -10.817 26.713 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.205 -12.003 24.757 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.034 -10.597 23.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.354 -10.889 24.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.727 -9.443 25.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.892 -10.806 26.064 1.00 0.00 H new ATOM 83 N VAL A 5 2.611 -8.543 24.301 1.00 0.00 N ATOM 84 CA VAL A 5 2.479 -7.124 23.862 1.00 0.00 C ATOM 85 C VAL A 5 1.066 -6.612 24.151 1.00 0.00 C ATOM 86 O VAL A 5 0.118 -7.371 24.197 1.00 0.00 O ATOM 87 CB VAL A 5 2.748 -7.147 22.356 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.718 -8.042 21.667 1.00 0.00 C ATOM 89 CG2 VAL A 5 2.642 -5.726 21.798 1.00 0.00 C ATOM 0 H VAL A 5 2.875 -9.202 23.568 1.00 0.00 H new ATOM 0 HA VAL A 5 3.169 -6.463 24.386 1.00 0.00 H new ATOM 0 HB VAL A 5 3.749 -7.537 22.172 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.910 -8.058 20.594 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.792 -9.054 22.064 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.717 -7.652 21.851 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.834 -5.741 20.725 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.641 -5.336 21.982 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.376 -5.087 22.289 1.00 0.00 H new ATOM 99 N THR A 6 0.919 -5.332 24.350 1.00 0.00 N ATOM 100 CA THR A 6 -0.434 -4.772 24.637 1.00 0.00 C ATOM 101 C THR A 6 -1.140 -4.398 23.332 1.00 0.00 C ATOM 102 O THR A 6 -0.520 -4.251 22.298 1.00 0.00 O ATOM 103 CB THR A 6 -0.175 -3.523 25.483 1.00 0.00 C ATOM 104 OG1 THR A 6 0.512 -2.556 24.701 1.00 0.00 O ATOM 105 CG2 THR A 6 0.671 -3.893 26.702 1.00 0.00 C ATOM 0 H THR A 6 1.676 -4.649 24.327 1.00 0.00 H new ATOM 0 HA THR A 6 -1.076 -5.487 25.151 1.00 0.00 H new ATOM 0 HB THR A 6 -1.126 -3.109 25.818 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.677 -1.755 25.241 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.854 -3.002 27.302 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.141 -4.632 27.302 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.623 -4.309 26.372 1.00 0.00 H new ATOM 113 N VAL A 7 -2.436 -4.244 23.372 1.00 0.00 N ATOM 114 CA VAL A 7 -3.181 -3.879 22.133 1.00 0.00 C ATOM 115 C VAL A 7 -2.841 -2.446 21.713 1.00 0.00 C ATOM 116 O VAL A 7 -3.095 -1.501 22.435 1.00 0.00 O ATOM 117 CB VAL A 7 -4.658 -3.991 22.514 1.00 0.00 C ATOM 118 CG1 VAL A 7 -5.525 -3.644 21.303 1.00 0.00 C ATOM 119 CG2 VAL A 7 -4.959 -5.422 22.965 1.00 0.00 C ATOM 0 H VAL A 7 -3.010 -4.355 24.208 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.926 -4.524 21.292 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.878 -3.299 23.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.578 -3.724 21.574 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.309 -2.625 20.981 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.307 -4.335 20.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.011 -5.504 23.237 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.740 -6.114 22.152 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.341 -5.669 23.828 1.00 0.00 H new ATOM 129 N ASN A 8 -2.266 -2.277 20.554 1.00 0.00 N ATOM 130 CA ASN A 8 -1.909 -0.905 20.091 1.00 0.00 C ATOM 131 C ASN A 8 -2.957 -0.390 19.101 1.00 0.00 C ATOM 132 O ASN A 8 -2.787 -0.479 17.901 1.00 0.00 O ATOM 133 CB ASN A 8 -0.552 -1.058 19.402 1.00 0.00 C ATOM 134 CG ASN A 8 0.247 0.238 19.554 1.00 0.00 C ATOM 135 OD1 ASN A 8 0.693 0.566 20.635 1.00 0.00 O ATOM 136 ND2 ASN A 8 0.445 0.994 18.509 1.00 0.00 N ATOM 0 H ASN A 8 -2.028 -3.029 19.907 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.871 -0.191 20.913 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.002 -1.890 19.840 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.692 -1.289 18.346 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.975 1.861 18.600 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.070 0.718 17.601 1.00 0.00 H new ATOM 143 N GLY A 9 -4.038 0.147 19.594 1.00 0.00 N ATOM 144 CA GLY A 9 -5.095 0.666 18.681 1.00 0.00 C ATOM 145 C GLY A 9 -4.578 1.909 17.956 1.00 0.00 C ATOM 146 O GLY A 9 -3.476 1.927 17.442 1.00 0.00 O ATOM 0 H GLY A 9 -4.236 0.249 20.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.374 -0.100 17.958 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.993 0.910 19.249 1.00 0.00 H new ATOM 150 N ALA A 10 -5.363 2.949 17.910 1.00 0.00 N ATOM 151 CA ALA A 10 -4.917 4.193 17.217 1.00 0.00 C ATOM 152 C ALA A 10 -3.833 4.897 18.038 1.00 0.00 C ATOM 153 O ALA A 10 -3.300 4.347 18.982 1.00 0.00 O ATOM 154 CB ALA A 10 -6.170 5.063 17.124 1.00 0.00 C ATOM 0 H ALA A 10 -6.295 2.993 18.322 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.488 3.989 16.236 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.926 6.001 16.625 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.936 4.537 16.554 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.543 5.272 18.127 1.00 0.00 H new ATOM 160 N GLY A 11 -3.505 6.111 17.688 1.00 0.00 N ATOM 161 CA GLY A 11 -2.458 6.849 18.449 1.00 0.00 C ATOM 162 C GLY A 11 -1.441 7.443 17.473 1.00 0.00 C ATOM 163 O GLY A 11 -1.465 8.620 17.175 1.00 0.00 O ATOM 0 H GLY A 11 -3.917 6.623 16.908 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.915 7.642 19.042 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.959 6.177 19.147 1.00 0.00 H new ATOM 167 N LYS A 12 -0.545 6.636 16.973 1.00 0.00 N ATOM 168 CA LYS A 12 0.474 7.155 16.015 1.00 0.00 C ATOM 169 C LYS A 12 0.928 6.036 15.073 1.00 0.00 C ATOM 170 O LYS A 12 0.820 4.867 15.385 1.00 0.00 O ATOM 171 CB LYS A 12 1.637 7.625 16.889 1.00 0.00 C ATOM 172 CG LYS A 12 1.946 9.091 16.582 1.00 0.00 C ATOM 173 CD LYS A 12 3.052 9.587 17.515 1.00 0.00 C ATOM 174 CE LYS A 12 4.372 9.672 16.744 1.00 0.00 C ATOM 175 NZ LYS A 12 5.270 10.490 17.607 1.00 0.00 N ATOM 0 H LYS A 12 -0.474 5.641 17.186 1.00 0.00 H new ATOM 0 HA LYS A 12 0.084 7.959 15.391 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.384 7.509 17.943 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.517 7.010 16.703 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.257 9.198 15.543 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.049 9.697 16.710 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.791 10.565 17.918 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.157 8.911 18.363 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.790 8.681 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.230 10.137 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.196 10.593 17.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.850 11.430 17.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.392 10.019 18.526 1.00 0.00 H new ATOM 189 N ALA A 13 1.436 6.385 13.923 1.00 0.00 N ATOM 190 CA ALA A 13 1.896 5.340 12.964 1.00 0.00 C ATOM 191 C ALA A 13 3.326 4.910 13.296 1.00 0.00 C ATOM 192 O ALA A 13 3.841 5.199 14.358 1.00 0.00 O ATOM 193 CB ALA A 13 1.841 6.012 11.591 1.00 0.00 C ATOM 0 H ALA A 13 1.553 7.347 13.606 1.00 0.00 H new ATOM 0 HA ALA A 13 1.279 4.442 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.166 5.306 10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.819 6.329 11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.499 6.881 11.585 1.00 0.00 H new ATOM 199 N GLY A 14 3.973 4.222 12.396 1.00 0.00 N ATOM 200 CA GLY A 14 5.369 3.774 12.660 1.00 0.00 C ATOM 201 C GLY A 14 6.260 4.148 11.474 1.00 0.00 C ATOM 202 O GLY A 14 5.795 4.318 10.364 1.00 0.00 O ATOM 0 H GLY A 14 3.595 3.951 11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.745 4.239 13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.392 2.696 12.820 1.00 0.00 H new ATOM 206 N GLU A 15 7.538 4.280 11.699 1.00 0.00 N ATOM 207 CA GLU A 15 8.458 4.643 10.584 1.00 0.00 C ATOM 208 C GLU A 15 8.291 3.665 9.417 1.00 0.00 C ATOM 209 O GLU A 15 8.236 2.466 9.603 1.00 0.00 O ATOM 210 CB GLU A 15 9.863 4.534 11.176 1.00 0.00 C ATOM 211 CG GLU A 15 10.883 5.080 10.175 1.00 0.00 C ATOM 212 CD GLU A 15 11.246 6.518 10.548 1.00 0.00 C ATOM 213 OE1 GLU A 15 10.387 7.209 11.071 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.377 6.905 10.306 1.00 0.00 O ATOM 0 H GLU A 15 7.985 4.152 12.607 1.00 0.00 H new ATOM 0 HA GLU A 15 8.256 5.640 10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.920 5.093 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.090 3.494 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.777 4.457 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.471 5.048 9.166 1.00 0.00 H new ATOM 221 N GLY A 16 8.210 4.169 8.216 1.00 0.00 N ATOM 222 CA GLY A 16 8.047 3.268 7.040 1.00 0.00 C ATOM 223 C GLY A 16 6.569 3.191 6.650 1.00 0.00 C ATOM 224 O GLY A 16 6.229 2.879 5.527 1.00 0.00 O ATOM 0 H GLY A 16 8.250 5.165 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.636 3.639 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.423 2.273 7.277 1.00 0.00 H new ATOM 228 N GLU A 17 5.688 3.472 7.572 1.00 0.00 N ATOM 229 CA GLU A 17 4.232 3.413 7.253 1.00 0.00 C ATOM 230 C GLU A 17 3.732 4.785 6.791 1.00 0.00 C ATOM 231 O GLU A 17 4.307 5.806 7.112 1.00 0.00 O ATOM 232 CB GLU A 17 3.555 3.011 8.565 1.00 0.00 C ATOM 233 CG GLU A 17 3.871 1.548 8.878 1.00 0.00 C ATOM 234 CD GLU A 17 3.894 1.346 10.394 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.955 1.776 11.044 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.850 0.764 10.881 1.00 0.00 O ATOM 0 H GLU A 17 5.913 3.739 8.530 1.00 0.00 H new ATOM 0 HA GLU A 17 4.015 2.710 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.903 3.650 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.477 3.152 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.123 0.898 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.834 1.273 8.449 1.00 0.00 H new ATOM 243 N ILE A 18 2.665 4.817 6.040 1.00 0.00 N ATOM 244 CA ILE A 18 2.127 6.122 5.559 1.00 0.00 C ATOM 245 C ILE A 18 0.754 6.393 6.193 1.00 0.00 C ATOM 246 O ILE A 18 -0.230 5.796 5.805 1.00 0.00 O ATOM 247 CB ILE A 18 1.996 5.957 4.045 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.372 5.658 3.444 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.445 7.248 3.436 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.519 4.152 3.224 1.00 0.00 C ATOM 0 H ILE A 18 2.142 3.995 5.738 1.00 0.00 H new ATOM 0 HA ILE A 18 2.770 6.961 5.824 1.00 0.00 H new ATOM 0 HB ILE A 18 1.316 5.133 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.490 6.187 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.157 6.017 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.352 7.130 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.466 7.463 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.125 8.072 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.499 3.941 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.420 3.634 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.743 3.807 2.541 1.00 0.00 H new ATOM 262 N PRO A 19 0.729 7.285 7.155 1.00 0.00 N ATOM 263 CA PRO A 19 -0.545 7.622 7.842 1.00 0.00 C ATOM 264 C PRO A 19 -1.445 8.465 6.934 1.00 0.00 C ATOM 265 O PRO A 19 -1.005 9.016 5.944 1.00 0.00 O ATOM 266 CB PRO A 19 -0.096 8.424 9.060 1.00 0.00 C ATOM 267 CG PRO A 19 1.231 9.000 8.682 1.00 0.00 C ATOM 268 CD PRO A 19 1.861 8.056 7.690 1.00 0.00 C ATOM 0 HA PRO A 19 -1.130 6.741 8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.812 9.210 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.013 7.788 9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.110 9.992 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.865 9.114 9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.382 8.598 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.594 7.407 8.169 1.00 0.00 H new ATOM 276 N ALA A 20 -2.705 8.568 7.266 1.00 0.00 N ATOM 277 CA ALA A 20 -3.638 9.373 6.426 1.00 0.00 C ATOM 278 C ALA A 20 -3.514 10.864 6.770 1.00 0.00 C ATOM 279 O ALA A 20 -3.097 11.214 7.856 1.00 0.00 O ATOM 280 CB ALA A 20 -5.033 8.857 6.779 1.00 0.00 C ATOM 0 H ALA A 20 -3.128 8.129 8.084 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.423 9.275 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.779 9.401 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.097 7.794 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.218 9.007 7.843 1.00 0.00 H new ATOM 286 N PRO A 21 -3.880 11.699 5.827 1.00 0.00 N ATOM 287 CA PRO A 21 -3.804 13.165 6.043 1.00 0.00 C ATOM 288 C PRO A 21 -4.914 13.632 6.989 1.00 0.00 C ATOM 289 O PRO A 21 -4.720 14.515 7.800 1.00 0.00 O ATOM 290 CB PRO A 21 -4.007 13.744 4.645 1.00 0.00 C ATOM 291 CG PRO A 21 -4.770 12.697 3.898 1.00 0.00 C ATOM 292 CD PRO A 21 -4.390 11.365 4.489 1.00 0.00 C ATOM 0 HA PRO A 21 -2.866 13.479 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.560 14.683 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.052 13.955 4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.843 12.866 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.529 12.730 2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.248 10.695 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.632 10.863 3.887 1.00 0.00 H new ATOM 300 N LEU A 22 -6.078 13.049 6.891 1.00 0.00 N ATOM 301 CA LEU A 22 -7.196 13.466 7.784 1.00 0.00 C ATOM 302 C LEU A 22 -8.202 12.324 7.945 1.00 0.00 C ATOM 303 O LEU A 22 -8.543 11.935 9.045 1.00 0.00 O ATOM 304 CB LEU A 22 -7.846 14.654 7.075 1.00 0.00 C ATOM 305 CG LEU A 22 -7.730 15.900 7.955 1.00 0.00 C ATOM 306 CD1 LEU A 22 -7.587 17.138 7.068 1.00 0.00 C ATOM 307 CD2 LEU A 22 -8.987 16.032 8.818 1.00 0.00 C ATOM 0 H LEU A 22 -6.303 12.303 6.232 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.849 13.726 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.361 14.828 6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.894 14.438 6.868 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.855 15.812 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.504 18.026 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.692 17.043 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.462 17.228 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.906 16.919 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.862 16.121 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.089 15.149 9.449 1.00 0.00 H new ATOM 319 N ALA A 23 -8.681 11.786 6.858 1.00 0.00 N ATOM 320 CA ALA A 23 -9.666 10.671 6.951 1.00 0.00 C ATOM 321 C ALA A 23 -9.848 10.006 5.586 1.00 0.00 C ATOM 322 O ALA A 23 -9.247 10.402 4.605 1.00 0.00 O ATOM 323 CB ALA A 23 -10.969 11.332 7.404 1.00 0.00 C ATOM 0 H ALA A 23 -8.434 12.069 5.910 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.342 9.891 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.748 10.575 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.816 11.815 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.273 12.078 6.669 1.00 0.00 H new ATOM 329 N GLY A 24 -10.672 8.998 5.515 1.00 0.00 N ATOM 330 CA GLY A 24 -10.896 8.306 4.215 1.00 0.00 C ATOM 331 C GLY A 24 -11.851 7.130 4.425 1.00 0.00 C ATOM 332 O GLY A 24 -12.035 6.658 5.530 1.00 0.00 O ATOM 0 H GLY A 24 -11.201 8.623 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.313 9.002 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.948 7.951 3.811 1.00 0.00 H new ATOM 336 N THR A 25 -12.464 6.655 3.377 1.00 0.00 N ATOM 337 CA THR A 25 -13.411 5.512 3.525 1.00 0.00 C ATOM 338 C THR A 25 -12.892 4.286 2.768 1.00 0.00 C ATOM 339 O THR A 25 -13.181 4.097 1.602 1.00 0.00 O ATOM 340 CB THR A 25 -14.723 6.002 2.912 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.480 6.476 1.594 1.00 0.00 O ATOM 342 CG2 THR A 25 -15.296 7.134 3.767 1.00 0.00 C ATOM 0 H THR A 25 -12.352 7.007 2.426 1.00 0.00 H new ATOM 0 HA THR A 25 -13.532 5.212 4.566 1.00 0.00 H new ATOM 0 HB THR A 25 -15.438 5.180 2.876 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.018 5.783 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.231 7.483 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.482 6.769 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.583 7.958 3.805 1.00 0.00 H new ATOM 350 N VAL A 26 -12.135 3.447 3.421 1.00 0.00 N ATOM 351 CA VAL A 26 -11.608 2.233 2.734 1.00 0.00 C ATOM 352 C VAL A 26 -12.771 1.326 2.327 1.00 0.00 C ATOM 353 O VAL A 26 -13.696 1.110 3.085 1.00 0.00 O ATOM 354 CB VAL A 26 -10.723 1.539 3.772 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.037 0.330 3.130 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.661 2.518 4.276 1.00 0.00 C ATOM 0 H VAL A 26 -11.859 3.549 4.398 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.052 2.474 1.828 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.338 1.208 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.406 -0.165 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.793 -0.369 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.423 0.662 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.031 2.023 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.046 2.850 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.148 3.380 4.733 1.00 0.00 H new ATOM 366 N SER A 27 -12.742 0.798 1.134 1.00 0.00 N ATOM 367 CA SER A 27 -13.858 -0.085 0.689 1.00 0.00 C ATOM 368 C SER A 27 -13.324 -1.426 0.172 1.00 0.00 C ATOM 369 O SER A 27 -13.982 -2.442 0.274 1.00 0.00 O ATOM 370 CB SER A 27 -14.545 0.686 -0.437 1.00 0.00 C ATOM 371 OG SER A 27 -15.022 1.927 0.067 1.00 0.00 O ATOM 0 H SER A 27 -11.998 0.939 0.451 1.00 0.00 H new ATOM 0 HA SER A 27 -14.540 -0.319 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.846 0.857 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.372 0.102 -0.841 1.00 0.00 H new ATOM 0 HG SER A 27 -15.462 2.425 -0.653 1.00 0.00 H new ATOM 377 N LYS A 28 -12.145 -1.442 -0.388 1.00 0.00 N ATOM 378 CA LYS A 28 -11.593 -2.725 -0.910 1.00 0.00 C ATOM 379 C LYS A 28 -10.063 -2.688 -0.914 1.00 0.00 C ATOM 380 O LYS A 28 -9.457 -1.635 -0.900 1.00 0.00 O ATOM 381 CB LYS A 28 -12.131 -2.833 -2.337 1.00 0.00 C ATOM 382 CG LYS A 28 -13.184 -3.940 -2.404 1.00 0.00 C ATOM 383 CD LYS A 28 -12.518 -5.252 -2.823 1.00 0.00 C ATOM 384 CE LYS A 28 -12.643 -5.428 -4.337 1.00 0.00 C ATOM 385 NZ LYS A 28 -11.382 -6.103 -4.751 1.00 0.00 N ATOM 0 H LYS A 28 -11.543 -0.627 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.884 -3.578 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.567 -1.883 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.317 -3.049 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.666 -4.058 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.964 -3.672 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.467 -5.248 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.987 -6.091 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.515 -6.029 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.759 -4.467 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.393 -6.258 -5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.569 -5.505 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.302 -7.018 -4.263 1.00 0.00 H new ATOM 399 N ILE A 29 -9.437 -3.832 -0.936 1.00 0.00 N ATOM 400 CA ILE A 29 -7.946 -3.869 -0.943 1.00 0.00 C ATOM 401 C ILE A 29 -7.447 -4.772 -2.075 1.00 0.00 C ATOM 402 O ILE A 29 -7.950 -5.858 -2.283 1.00 0.00 O ATOM 403 CB ILE A 29 -7.558 -4.451 0.418 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.039 -4.637 0.478 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.246 -5.804 0.611 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.651 -5.261 1.822 1.00 0.00 C ATOM 0 H ILE A 29 -9.893 -4.744 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.508 -2.884 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.873 -3.769 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.708 -5.276 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.540 -3.676 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.969 -6.218 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.327 -5.672 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.933 -6.487 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.570 -5.393 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.968 -4.605 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.139 -6.230 1.928 1.00 0.00 H new ATOM 418 N LEU A 30 -6.460 -4.333 -2.807 1.00 0.00 N ATOM 419 CA LEU A 30 -5.931 -5.170 -3.921 1.00 0.00 C ATOM 420 C LEU A 30 -4.749 -6.012 -3.428 1.00 0.00 C ATOM 421 O LEU A 30 -4.613 -7.169 -3.771 1.00 0.00 O ATOM 422 CB LEU A 30 -5.478 -4.174 -4.989 1.00 0.00 C ATOM 423 CG LEU A 30 -6.550 -4.070 -6.077 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.755 -5.441 -6.723 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.864 -3.598 -5.452 1.00 0.00 C ATOM 0 H LEU A 30 -5.998 -3.432 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.676 -5.864 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.305 -3.196 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.532 -4.497 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.231 -3.356 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.518 -5.368 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.818 -5.778 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.075 -6.156 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.629 -3.523 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.184 -4.313 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.717 -2.621 -4.991 1.00 0.00 H new ATOM 437 N VAL A 31 -3.899 -5.442 -2.616 1.00 0.00 N ATOM 438 CA VAL A 31 -2.735 -6.219 -2.096 1.00 0.00 C ATOM 439 C VAL A 31 -3.112 -6.897 -0.775 1.00 0.00 C ATOM 440 O VAL A 31 -4.261 -6.916 -0.384 1.00 0.00 O ATOM 441 CB VAL A 31 -1.626 -5.188 -1.877 1.00 0.00 C ATOM 442 CG1 VAL A 31 -1.251 -4.549 -3.216 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.112 -4.107 -0.910 1.00 0.00 C ATOM 0 H VAL A 31 -3.959 -4.477 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.421 -7.005 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.751 -5.682 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.461 -3.814 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.899 -5.320 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.125 -4.057 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.320 -3.374 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.988 -3.612 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.374 -4.564 0.044 1.00 0.00 H new ATOM 453 N LYS A 32 -2.155 -7.453 -0.083 1.00 0.00 N ATOM 454 CA LYS A 32 -2.472 -8.126 1.210 1.00 0.00 C ATOM 455 C LYS A 32 -1.192 -8.390 2.010 1.00 0.00 C ATOM 456 O LYS A 32 -1.130 -8.132 3.196 1.00 0.00 O ATOM 457 CB LYS A 32 -3.161 -9.442 0.828 1.00 0.00 C ATOM 458 CG LYS A 32 -2.296 -10.231 -0.160 1.00 0.00 C ATOM 459 CD LYS A 32 -3.199 -11.045 -1.088 1.00 0.00 C ATOM 460 CE LYS A 32 -2.357 -12.074 -1.846 1.00 0.00 C ATOM 461 NZ LYS A 32 -1.732 -11.312 -2.963 1.00 0.00 N ATOM 0 H LYS A 32 -1.172 -7.471 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.110 -7.509 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.340 -10.039 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.134 -9.235 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.677 -9.549 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.620 -10.893 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.974 -11.548 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.705 -10.384 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.600 -12.518 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.975 -12.890 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.165 -11.958 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.476 -10.878 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.118 -10.568 -2.575 1.00 0.00 H new ATOM 475 N GLU A 33 -0.166 -8.901 1.378 1.00 0.00 N ATOM 476 CA GLU A 33 1.107 -9.179 2.113 1.00 0.00 C ATOM 477 C GLU A 33 2.141 -9.794 1.166 1.00 0.00 C ATOM 478 O GLU A 33 2.011 -10.927 0.744 1.00 0.00 O ATOM 479 CB GLU A 33 0.735 -10.177 3.212 1.00 0.00 C ATOM 480 CG GLU A 33 1.159 -9.619 4.573 1.00 0.00 C ATOM 481 CD GLU A 33 0.159 -10.066 5.642 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.499 -11.070 5.428 1.00 0.00 O ATOM 483 OE2 GLU A 33 0.069 -9.394 6.658 1.00 0.00 O ATOM 0 H GLU A 33 -0.154 -9.138 0.386 1.00 0.00 H new ATOM 0 HA GLU A 33 1.546 -8.270 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.339 -10.362 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.225 -11.134 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.159 -9.970 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.203 -8.531 4.534 1.00 0.00 H new ATOM 490 N GLY A 34 3.168 -9.061 0.832 1.00 0.00 N ATOM 491 CA GLY A 34 4.209 -9.610 -0.082 1.00 0.00 C ATOM 492 C GLY A 34 4.017 -9.037 -1.487 1.00 0.00 C ATOM 493 O GLY A 34 4.942 -8.973 -2.272 1.00 0.00 O ATOM 0 H GLY A 34 3.331 -8.106 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.202 -9.359 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.144 -10.698 -0.111 1.00 0.00 H new ATOM 497 N ASP A 35 2.825 -8.617 -1.811 1.00 0.00 N ATOM 498 CA ASP A 35 2.580 -8.049 -3.167 1.00 0.00 C ATOM 499 C ASP A 35 3.561 -6.905 -3.439 1.00 0.00 C ATOM 500 O ASP A 35 3.536 -5.884 -2.783 1.00 0.00 O ATOM 501 CB ASP A 35 1.141 -7.531 -3.127 1.00 0.00 C ATOM 502 CG ASP A 35 0.553 -7.551 -4.539 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.018 -6.782 -5.364 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.353 -8.335 -4.771 1.00 0.00 O ATOM 0 H ASP A 35 2.011 -8.642 -1.197 1.00 0.00 H new ATOM 0 HA ASP A 35 2.722 -8.785 -3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.539 -8.150 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.119 -6.517 -2.727 1.00 0.00 H new ATOM 509 N THR A 36 4.427 -7.071 -4.403 1.00 0.00 N ATOM 510 CA THR A 36 5.411 -5.992 -4.712 1.00 0.00 C ATOM 511 C THR A 36 4.728 -4.852 -5.468 1.00 0.00 C ATOM 512 O THR A 36 4.581 -4.893 -6.674 1.00 0.00 O ATOM 513 CB THR A 36 6.469 -6.658 -5.591 1.00 0.00 C ATOM 514 OG1 THR A 36 6.894 -7.869 -4.982 1.00 0.00 O ATOM 515 CG2 THR A 36 7.664 -5.717 -5.751 1.00 0.00 C ATOM 0 H THR A 36 4.496 -7.904 -4.988 1.00 0.00 H new ATOM 0 HA THR A 36 5.844 -5.560 -3.810 1.00 0.00 H new ATOM 0 HB THR A 36 6.046 -6.875 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.571 -8.298 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.419 -6.191 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.336 -4.788 -6.218 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.090 -5.500 -4.771 1.00 0.00 H new ATOM 523 N VAL A 37 4.312 -3.831 -4.770 1.00 0.00 N ATOM 524 CA VAL A 37 3.642 -2.688 -5.450 1.00 0.00 C ATOM 525 C VAL A 37 4.651 -1.919 -6.308 1.00 0.00 C ATOM 526 O VAL A 37 5.847 -2.085 -6.175 1.00 0.00 O ATOM 527 CB VAL A 37 3.119 -1.807 -4.316 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.184 -2.630 -3.427 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.293 -1.291 -3.482 1.00 0.00 C ATOM 0 H VAL A 37 4.407 -3.739 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 37 2.842 -3.012 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 37 2.575 -0.960 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.809 -2.005 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.346 -2.996 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.730 -3.476 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.917 -0.663 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.839 -2.135 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.960 -0.706 -4.115 1.00 0.00 H new ATOM 539 N LYS A 38 4.177 -1.083 -7.187 1.00 0.00 N ATOM 540 CA LYS A 38 5.108 -0.305 -8.051 1.00 0.00 C ATOM 541 C LYS A 38 4.831 1.194 -7.909 1.00 0.00 C ATOM 542 O LYS A 38 3.807 1.600 -7.397 1.00 0.00 O ATOM 543 CB LYS A 38 4.808 -0.774 -9.475 1.00 0.00 C ATOM 544 CG LYS A 38 5.694 -1.975 -9.814 1.00 0.00 C ATOM 545 CD LYS A 38 5.458 -2.390 -11.267 1.00 0.00 C ATOM 546 CE LYS A 38 5.357 -3.915 -11.354 1.00 0.00 C ATOM 547 NZ LYS A 38 3.942 -4.185 -11.734 1.00 0.00 N ATOM 0 H LYS A 38 3.185 -0.904 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 38 6.153 -0.461 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.757 -1.047 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.989 0.036 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.743 -1.720 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.469 -2.806 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.543 -1.933 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.274 -2.033 -11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.048 -4.315 -12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.606 -4.382 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.677 -5.143 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.320 -3.491 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.839 -4.110 -12.766 1.00 0.00 H new ATOM 561 N ALA A 39 5.738 2.019 -8.357 1.00 0.00 N ATOM 562 CA ALA A 39 5.524 3.491 -8.245 1.00 0.00 C ATOM 563 C ALA A 39 4.321 3.915 -9.092 1.00 0.00 C ATOM 564 O ALA A 39 4.364 3.884 -10.306 1.00 0.00 O ATOM 565 CB ALA A 39 6.808 4.120 -8.787 1.00 0.00 C ATOM 0 H ALA A 39 6.616 1.739 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 39 5.318 3.802 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.730 5.206 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.656 3.790 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.955 3.813 -9.822 1.00 0.00 H new ATOM 571 N GLY A 40 3.248 4.309 -8.463 1.00 0.00 N ATOM 572 CA GLY A 40 2.045 4.733 -9.234 1.00 0.00 C ATOM 573 C GLY A 40 1.215 3.501 -9.599 1.00 0.00 C ATOM 574 O GLY A 40 0.642 3.420 -10.666 1.00 0.00 O ATOM 0 H GLY A 40 3.152 4.356 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.446 5.426 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.347 5.263 -10.138 1.00 0.00 H new ATOM 578 N GLN A 41 1.148 2.540 -8.718 1.00 0.00 N ATOM 579 CA GLN A 41 0.356 1.311 -9.013 1.00 0.00 C ATOM 580 C GLN A 41 -0.811 1.189 -8.029 1.00 0.00 C ATOM 581 O GLN A 41 -0.619 1.003 -6.844 1.00 0.00 O ATOM 582 CB GLN A 41 1.339 0.153 -8.826 1.00 0.00 C ATOM 583 CG GLN A 41 0.751 -1.122 -9.431 1.00 0.00 C ATOM 584 CD GLN A 41 1.031 -2.305 -8.501 1.00 0.00 C ATOM 585 OE1 GLN A 41 0.752 -2.242 -7.320 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.575 -3.387 -8.987 1.00 0.00 N ATOM 0 H GLN A 41 1.607 2.552 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.072 1.324 -10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.290 0.389 -9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.543 0.004 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.323 -1.006 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.188 -1.306 -10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.809 -3.439 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.766 -4.181 -8.375 1.00 0.00 H new ATOM 595 N THR A 42 -2.021 1.290 -8.509 1.00 0.00 N ATOM 596 CA THR A 42 -3.199 1.178 -7.599 1.00 0.00 C ATOM 597 C THR A 42 -3.104 -0.107 -6.770 1.00 0.00 C ATOM 598 O THR A 42 -3.085 -1.199 -7.302 1.00 0.00 O ATOM 599 CB THR A 42 -4.414 1.129 -8.527 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.176 1.955 -9.658 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.651 1.627 -7.779 1.00 0.00 C ATOM 0 H THR A 42 -2.246 1.445 -9.492 1.00 0.00 H new ATOM 0 HA THR A 42 -3.258 2.008 -6.895 1.00 0.00 H new ATOM 0 HB THR A 42 -4.581 0.103 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.789 2.806 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.516 1.591 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.832 0.992 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.488 2.653 -7.450 1.00 0.00 H new ATOM 609 N VAL A 43 -3.035 0.015 -5.472 1.00 0.00 N ATOM 610 CA VAL A 43 -2.933 -1.203 -4.615 1.00 0.00 C ATOM 611 C VAL A 43 -4.060 -1.238 -3.576 1.00 0.00 C ATOM 612 O VAL A 43 -4.261 -2.234 -2.906 1.00 0.00 O ATOM 613 CB VAL A 43 -1.574 -1.084 -3.925 1.00 0.00 C ATOM 614 CG1 VAL A 43 -0.465 -1.090 -4.979 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.516 0.223 -3.132 1.00 0.00 C ATOM 0 H VAL A 43 -3.045 0.902 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.023 -2.119 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.436 -1.926 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.504 -1.005 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.505 -2.021 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.603 -0.248 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.547 0.307 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.654 1.066 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.306 0.228 -2.381 1.00 0.00 H new ATOM 625 N LEU A 44 -4.795 -0.165 -3.425 1.00 0.00 N ATOM 626 CA LEU A 44 -5.898 -0.162 -2.419 1.00 0.00 C ATOM 627 C LEU A 44 -7.073 0.696 -2.904 1.00 0.00 C ATOM 628 O LEU A 44 -6.926 1.538 -3.767 1.00 0.00 O ATOM 629 CB LEU A 44 -5.280 0.447 -1.160 1.00 0.00 C ATOM 630 CG LEU A 44 -4.868 -0.671 -0.201 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.346 -0.833 -0.232 1.00 0.00 C ATOM 632 CD2 LEU A 44 -5.314 -0.314 1.218 1.00 0.00 C ATOM 0 H LEU A 44 -4.680 0.702 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.293 -1.163 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.413 1.052 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.996 1.111 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.339 -1.605 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.051 -1.630 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.028 -1.086 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.874 0.101 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.021 -1.110 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.842 0.620 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.397 -0.197 1.240 1.00 0.00 H new ATOM 644 N VAL A 45 -8.237 0.490 -2.347 1.00 0.00 N ATOM 645 CA VAL A 45 -9.419 1.296 -2.766 1.00 0.00 C ATOM 646 C VAL A 45 -9.811 2.256 -1.641 1.00 0.00 C ATOM 647 O VAL A 45 -10.175 1.842 -0.558 1.00 0.00 O ATOM 648 CB VAL A 45 -10.529 0.275 -3.020 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.818 1.005 -3.408 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.112 -0.661 -4.157 1.00 0.00 C ATOM 0 H VAL A 45 -8.420 -0.202 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.222 1.901 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.700 -0.306 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.608 0.277 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.117 1.671 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.648 1.588 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.903 -1.389 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.940 -0.079 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.195 -1.183 -3.881 1.00 0.00 H new ATOM 660 N LEU A 46 -9.736 3.535 -1.884 1.00 0.00 N ATOM 661 CA LEU A 46 -10.101 4.515 -0.820 1.00 0.00 C ATOM 662 C LEU A 46 -10.646 5.802 -1.444 1.00 0.00 C ATOM 663 O LEU A 46 -10.095 6.327 -2.391 1.00 0.00 O ATOM 664 CB LEU A 46 -8.795 4.793 -0.074 1.00 0.00 C ATOM 665 CG LEU A 46 -9.078 4.937 1.423 1.00 0.00 C ATOM 666 CD1 LEU A 46 -7.767 4.831 2.204 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.720 6.300 1.693 1.00 0.00 C ATOM 0 H LEU A 46 -9.439 3.944 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.878 4.132 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.088 3.981 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.333 5.703 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.756 4.145 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.969 4.934 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.307 3.861 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.089 5.623 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.922 6.402 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.042 7.091 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.655 6.378 1.138 1.00 0.00 H new ATOM 679 N GLU A 47 -11.724 6.314 -0.918 1.00 0.00 N ATOM 680 CA GLU A 47 -12.305 7.567 -1.477 1.00 0.00 C ATOM 681 C GLU A 47 -12.277 8.677 -0.422 1.00 0.00 C ATOM 682 O GLU A 47 -13.073 8.693 0.496 1.00 0.00 O ATOM 683 CB GLU A 47 -13.746 7.207 -1.842 1.00 0.00 C ATOM 684 CG GLU A 47 -13.764 6.488 -3.193 1.00 0.00 C ATOM 685 CD GLU A 47 -15.093 5.749 -3.361 1.00 0.00 C ATOM 686 OE1 GLU A 47 -16.097 6.412 -3.557 1.00 0.00 O ATOM 687 OE2 GLU A 47 -15.083 4.531 -3.288 1.00 0.00 O ATOM 0 H GLU A 47 -12.228 5.919 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.748 7.934 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.179 6.568 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.357 8.109 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.631 7.207 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.934 5.784 -3.253 1.00 0.00 H new ATOM 694 N ALA A 48 -11.367 9.603 -0.545 1.00 0.00 N ATOM 695 CA ALA A 48 -11.289 10.709 0.453 1.00 0.00 C ATOM 696 C ALA A 48 -11.287 12.066 -0.255 1.00 0.00 C ATOM 697 O ALA A 48 -11.693 12.184 -1.394 1.00 0.00 O ATOM 698 CB ALA A 48 -9.967 10.486 1.188 1.00 0.00 C ATOM 0 H ALA A 48 -10.674 9.643 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.140 10.710 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.835 11.262 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.979 9.509 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.143 10.528 0.476 1.00 0.00 H new ATOM 704 N MET A 49 -10.835 13.093 0.412 1.00 0.00 N ATOM 705 CA MET A 49 -10.808 14.443 -0.221 1.00 0.00 C ATOM 706 C MET A 49 -9.647 14.542 -1.215 1.00 0.00 C ATOM 707 O MET A 49 -9.708 15.273 -2.183 1.00 0.00 O ATOM 708 CB MET A 49 -10.609 15.420 0.939 1.00 0.00 C ATOM 709 CG MET A 49 -11.747 16.442 0.951 1.00 0.00 C ATOM 710 SD MET A 49 -11.849 17.213 2.584 1.00 0.00 S ATOM 711 CE MET A 49 -13.086 16.095 3.287 1.00 0.00 C ATOM 0 H MET A 49 -10.483 13.056 1.369 1.00 0.00 H new ATOM 0 HA MET A 49 -11.719 14.655 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.584 14.878 1.884 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.651 15.929 0.838 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.576 17.202 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 49 -12.691 15.954 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 49 -13.304 16.392 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.999 16.143 2.693 1.00 0.00 H new ATOM 0 HE3 MET A 49 -12.701 15.075 3.279 1.00 0.00 H new ATOM 721 N LYS A 50 -8.589 13.814 -0.982 1.00 0.00 N ATOM 722 CA LYS A 50 -7.426 13.871 -1.916 1.00 0.00 C ATOM 723 C LYS A 50 -7.248 12.531 -2.643 1.00 0.00 C ATOM 724 O LYS A 50 -6.248 12.298 -3.291 1.00 0.00 O ATOM 725 CB LYS A 50 -6.218 14.163 -1.026 1.00 0.00 C ATOM 726 CG LYS A 50 -5.705 15.576 -1.313 1.00 0.00 C ATOM 727 CD LYS A 50 -4.390 15.806 -0.564 1.00 0.00 C ATOM 728 CE LYS A 50 -3.969 17.270 -0.713 1.00 0.00 C ATOM 729 NZ LYS A 50 -2.729 17.229 -1.537 1.00 0.00 N ATOM 0 H LYS A 50 -8.479 13.184 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.560 14.628 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.495 14.071 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.430 13.433 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.553 15.708 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.446 16.313 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.511 15.556 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.614 15.151 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.748 17.858 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.783 17.729 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.378 18.197 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.004 16.668 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.938 16.793 -2.458 1.00 0.00 H new ATOM 743 N MET A 51 -8.209 11.651 -2.547 1.00 0.00 N ATOM 744 CA MET A 51 -8.088 10.334 -3.239 1.00 0.00 C ATOM 745 C MET A 51 -9.406 9.986 -3.935 1.00 0.00 C ATOM 746 O MET A 51 -10.415 10.630 -3.724 1.00 0.00 O ATOM 747 CB MET A 51 -7.778 9.327 -2.130 1.00 0.00 C ATOM 748 CG MET A 51 -6.262 9.185 -1.982 1.00 0.00 C ATOM 749 SD MET A 51 -5.849 8.864 -0.249 1.00 0.00 S ATOM 750 CE MET A 51 -4.054 8.751 -0.462 1.00 0.00 C ATOM 0 H MET A 51 -9.072 11.787 -2.020 1.00 0.00 H new ATOM 0 HA MET A 51 -7.314 10.337 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.217 9.659 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.224 8.361 -2.366 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.900 8.371 -2.610 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.766 10.094 -2.322 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.585 8.553 0.502 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.820 7.941 -1.153 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.675 9.691 -0.863 1.00 0.00 H new ATOM 760 N GLU A 52 -9.411 8.980 -4.768 1.00 0.00 N ATOM 761 CA GLU A 52 -10.674 8.613 -5.472 1.00 0.00 C ATOM 762 C GLU A 52 -10.674 7.131 -5.862 1.00 0.00 C ATOM 763 O GLU A 52 -10.540 6.787 -7.019 1.00 0.00 O ATOM 764 CB GLU A 52 -10.694 9.492 -6.722 1.00 0.00 C ATOM 765 CG GLU A 52 -12.124 9.582 -7.259 1.00 0.00 C ATOM 766 CD GLU A 52 -12.254 10.811 -8.160 1.00 0.00 C ATOM 767 OE1 GLU A 52 -11.336 11.060 -8.925 1.00 0.00 O ATOM 768 OE2 GLU A 52 -13.267 11.484 -8.070 1.00 0.00 O ATOM 0 H GLU A 52 -8.602 8.400 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.550 8.766 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.320 10.488 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.034 9.076 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.371 8.680 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.831 9.648 -6.432 1.00 0.00 H new ATOM 775 N THR A 53 -10.842 6.250 -4.905 1.00 0.00 N ATOM 776 CA THR A 53 -10.871 4.780 -5.205 1.00 0.00 C ATOM 777 C THR A 53 -9.502 4.288 -5.689 1.00 0.00 C ATOM 778 O THR A 53 -8.905 3.420 -5.091 1.00 0.00 O ATOM 779 CB THR A 53 -11.927 4.597 -6.302 1.00 0.00 C ATOM 780 OG1 THR A 53 -12.948 5.573 -6.143 1.00 0.00 O ATOM 781 CG2 THR A 53 -12.536 3.197 -6.198 1.00 0.00 C ATOM 0 H THR A 53 -10.961 6.487 -3.920 1.00 0.00 H new ATOM 0 HA THR A 53 -11.111 4.201 -4.313 1.00 0.00 H new ATOM 0 HB THR A 53 -11.460 4.716 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.623 5.458 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.286 3.068 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.752 2.449 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.004 3.075 -5.221 1.00 0.00 H new ATOM 789 N GLU A 54 -9.004 4.820 -6.769 1.00 0.00 N ATOM 790 CA GLU A 54 -7.679 4.359 -7.278 1.00 0.00 C ATOM 791 C GLU A 54 -6.552 4.846 -6.362 1.00 0.00 C ATOM 792 O GLU A 54 -6.109 5.974 -6.455 1.00 0.00 O ATOM 793 CB GLU A 54 -7.549 4.987 -8.666 1.00 0.00 C ATOM 794 CG GLU A 54 -7.440 3.885 -9.724 1.00 0.00 C ATOM 795 CD GLU A 54 -8.538 4.073 -10.772 1.00 0.00 C ATOM 796 OE1 GLU A 54 -9.638 3.601 -10.542 1.00 0.00 O ATOM 797 OE2 GLU A 54 -8.258 4.689 -11.789 1.00 0.00 O ATOM 0 H GLU A 54 -9.453 5.551 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.609 3.272 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.413 5.618 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.669 5.629 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.460 3.918 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.534 2.906 -9.255 1.00 0.00 H new ATOM 804 N ILE A 55 -6.077 4.004 -5.482 1.00 0.00 N ATOM 805 CA ILE A 55 -4.971 4.427 -4.572 1.00 0.00 C ATOM 806 C ILE A 55 -3.653 3.786 -5.012 1.00 0.00 C ATOM 807 O ILE A 55 -3.372 2.642 -4.702 1.00 0.00 O ATOM 808 CB ILE A 55 -5.362 3.930 -3.176 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.794 4.366 -2.839 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.396 4.512 -2.141 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.879 5.893 -2.762 1.00 0.00 C ATOM 0 H ILE A 55 -6.405 3.047 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.829 5.508 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.310 2.841 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.483 3.994 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.100 3.929 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.672 4.160 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.380 4.191 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.447 5.600 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.900 6.189 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.204 6.256 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.593 6.322 -3.722 1.00 0.00 H new ATOM 823 N ASN A 56 -2.846 4.519 -5.730 1.00 0.00 N ATOM 824 CA ASN A 56 -1.540 3.971 -6.194 1.00 0.00 C ATOM 825 C ASN A 56 -0.554 3.905 -5.029 1.00 0.00 C ATOM 826 O ASN A 56 -0.408 4.845 -4.273 1.00 0.00 O ATOM 827 CB ASN A 56 -1.051 4.960 -7.252 1.00 0.00 C ATOM 828 CG ASN A 56 -1.919 4.836 -8.507 1.00 0.00 C ATOM 829 OD1 ASN A 56 -3.010 4.304 -8.455 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.478 5.310 -9.638 1.00 0.00 N ATOM 0 H ASN A 56 -3.037 5.479 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.633 2.960 -6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.098 5.977 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.008 4.760 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.049 5.234 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.562 5.757 -9.681 1.00 0.00 H new ATOM 837 N ALA A 57 0.124 2.800 -4.878 1.00 0.00 N ATOM 838 CA ALA A 57 1.107 2.668 -3.759 1.00 0.00 C ATOM 839 C ALA A 57 2.019 3.904 -3.696 1.00 0.00 C ATOM 840 O ALA A 57 2.054 4.690 -4.621 1.00 0.00 O ATOM 841 CB ALA A 57 1.921 1.418 -4.093 1.00 0.00 C ATOM 0 H ALA A 57 0.041 1.981 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 57 0.616 2.590 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.667 1.252 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.257 0.555 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.420 1.554 -5.052 1.00 0.00 H new ATOM 847 N PRO A 58 2.727 4.037 -2.600 1.00 0.00 N ATOM 848 CA PRO A 58 3.639 5.195 -2.427 1.00 0.00 C ATOM 849 C PRO A 58 4.873 5.044 -3.319 1.00 0.00 C ATOM 850 O PRO A 58 5.424 6.013 -3.802 1.00 0.00 O ATOM 851 CB PRO A 58 4.022 5.131 -0.951 1.00 0.00 C ATOM 852 CG PRO A 58 3.842 3.698 -0.564 1.00 0.00 C ATOM 853 CD PRO A 58 2.748 3.139 -1.437 1.00 0.00 C ATOM 0 HA PRO A 58 3.182 6.145 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.051 5.455 -0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.389 5.784 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.769 3.142 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.575 3.614 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.958 2.111 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.788 3.133 -0.920 1.00 0.00 H new ATOM 861 N THR A 59 5.313 3.835 -3.541 1.00 0.00 N ATOM 862 CA THR A 59 6.512 3.623 -4.401 1.00 0.00 C ATOM 863 C THR A 59 6.728 2.126 -4.641 1.00 0.00 C ATOM 864 O THR A 59 6.084 1.292 -4.036 1.00 0.00 O ATOM 865 CB THR A 59 7.679 4.216 -3.610 1.00 0.00 C ATOM 866 OG1 THR A 59 8.882 4.039 -4.343 1.00 0.00 O ATOM 867 CG2 THR A 59 7.792 3.509 -2.259 1.00 0.00 C ATOM 0 H THR A 59 4.894 2.985 -3.164 1.00 0.00 H new ATOM 0 HA THR A 59 6.408 4.091 -5.380 1.00 0.00 H new ATOM 0 HB THR A 59 7.506 5.280 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.631 4.420 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.624 3.932 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.867 3.646 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.966 2.445 -2.419 1.00 0.00 H new ATOM 875 N ASP A 60 7.630 1.780 -5.519 1.00 0.00 N ATOM 876 CA ASP A 60 7.884 0.338 -5.794 1.00 0.00 C ATOM 877 C ASP A 60 8.456 -0.346 -4.550 1.00 0.00 C ATOM 878 O ASP A 60 9.380 0.144 -3.930 1.00 0.00 O ATOM 879 CB ASP A 60 8.906 0.326 -6.932 1.00 0.00 C ATOM 880 CG ASP A 60 10.195 1.009 -6.469 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.264 2.224 -6.557 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.091 0.304 -6.034 1.00 0.00 O ATOM 0 H ASP A 60 8.201 2.432 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 60 6.973 -0.199 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.115 -0.700 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.502 0.841 -7.803 1.00 0.00 H new ATOM 887 N GLY A 61 7.915 -1.474 -4.179 1.00 0.00 N ATOM 888 CA GLY A 61 8.433 -2.183 -2.974 1.00 0.00 C ATOM 889 C GLY A 61 7.494 -3.335 -2.604 1.00 0.00 C ATOM 890 O GLY A 61 6.528 -3.605 -3.289 1.00 0.00 O ATOM 0 H GLY A 61 7.140 -1.934 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.434 -2.567 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.516 -1.487 -2.139 1.00 0.00 H new ATOM 894 N LYS A 62 7.773 -4.016 -1.524 1.00 0.00 N ATOM 895 CA LYS A 62 6.899 -5.151 -1.108 1.00 0.00 C ATOM 896 C LYS A 62 6.043 -4.746 0.094 1.00 0.00 C ATOM 897 O LYS A 62 6.489 -4.037 0.975 1.00 0.00 O ATOM 898 CB LYS A 62 7.864 -6.274 -0.725 1.00 0.00 C ATOM 899 CG LYS A 62 7.996 -7.253 -1.894 1.00 0.00 C ATOM 900 CD LYS A 62 9.188 -8.182 -1.653 1.00 0.00 C ATOM 901 CE LYS A 62 9.967 -8.361 -2.958 1.00 0.00 C ATOM 902 NZ LYS A 62 11.391 -8.489 -2.542 1.00 0.00 N ATOM 0 H LYS A 62 8.569 -3.835 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 62 6.213 -5.455 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.840 -5.859 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.500 -6.795 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.082 -7.837 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.131 -6.705 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.838 -7.765 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.841 -9.149 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.633 -9.246 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.825 -7.509 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.989 -8.615 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.683 -7.629 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.497 -9.313 -1.916 1.00 0.00 H new ATOM 916 N VAL A 63 4.816 -5.188 0.138 1.00 0.00 N ATOM 917 CA VAL A 63 3.934 -4.824 1.285 1.00 0.00 C ATOM 918 C VAL A 63 4.243 -5.712 2.493 1.00 0.00 C ATOM 919 O VAL A 63 3.934 -6.887 2.510 1.00 0.00 O ATOM 920 CB VAL A 63 2.503 -5.057 0.777 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.514 -5.087 1.951 1.00 0.00 C ATOM 922 CG2 VAL A 63 2.116 -3.919 -0.162 1.00 0.00 C ATOM 0 H VAL A 63 4.386 -5.784 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 63 4.080 -3.795 1.612 1.00 0.00 H new ATOM 0 HB VAL A 63 2.466 -6.013 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.505 -5.253 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.783 -5.894 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.550 -4.136 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.101 -4.077 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.165 -2.972 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.805 -3.893 -1.006 1.00 0.00 H new ATOM 932 N GLU A 64 4.834 -5.153 3.510 1.00 0.00 N ATOM 933 CA GLU A 64 5.141 -5.959 4.722 1.00 0.00 C ATOM 934 C GLU A 64 3.853 -6.214 5.513 1.00 0.00 C ATOM 935 O GLU A 64 3.791 -7.094 6.347 1.00 0.00 O ATOM 936 CB GLU A 64 6.109 -5.100 5.537 1.00 0.00 C ATOM 937 CG GLU A 64 7.491 -5.119 4.880 1.00 0.00 C ATOM 938 CD GLU A 64 8.517 -5.684 5.863 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.260 -6.744 6.412 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.540 -5.048 6.052 1.00 0.00 O ATOM 0 H GLU A 64 5.117 -4.174 3.554 1.00 0.00 H new ATOM 0 HA GLU A 64 5.570 -6.931 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.739 -4.077 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.175 -5.477 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.467 -5.726 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.776 -4.111 4.580 1.00 0.00 H new ATOM 947 N LYS A 65 2.820 -5.446 5.255 1.00 0.00 N ATOM 948 CA LYS A 65 1.531 -5.643 5.992 1.00 0.00 C ATOM 949 C LYS A 65 0.516 -4.578 5.566 1.00 0.00 C ATOM 950 O LYS A 65 0.863 -3.579 4.968 1.00 0.00 O ATOM 951 CB LYS A 65 1.877 -5.480 7.475 1.00 0.00 C ATOM 952 CG LYS A 65 1.573 -6.783 8.215 1.00 0.00 C ATOM 953 CD LYS A 65 2.336 -6.808 9.541 1.00 0.00 C ATOM 954 CE LYS A 65 3.794 -7.194 9.285 1.00 0.00 C ATOM 955 NZ LYS A 65 4.456 -7.097 10.615 1.00 0.00 N ATOM 0 H LYS A 65 2.814 -4.693 4.567 1.00 0.00 H new ATOM 0 HA LYS A 65 1.089 -6.617 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.930 -5.222 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.301 -4.661 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.502 -6.868 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.860 -7.637 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.287 -5.830 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.875 -7.521 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.870 -8.203 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.259 -6.523 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.461 -7.347 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.373 -6.124 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.997 -7.751 11.280 1.00 0.00 H new ATOM 969 N VAL A 66 -0.737 -4.783 5.873 1.00 0.00 N ATOM 970 CA VAL A 66 -1.771 -3.779 5.488 1.00 0.00 C ATOM 971 C VAL A 66 -2.545 -3.315 6.726 1.00 0.00 C ATOM 972 O VAL A 66 -3.568 -3.871 7.074 1.00 0.00 O ATOM 973 CB VAL A 66 -2.698 -4.516 4.522 1.00 0.00 C ATOM 974 CG1 VAL A 66 -3.770 -3.552 4.008 1.00 0.00 C ATOM 975 CG2 VAL A 66 -1.887 -5.050 3.341 1.00 0.00 C ATOM 0 H VAL A 66 -1.089 -5.600 6.372 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.334 -2.889 5.035 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.174 -5.348 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.431 -4.077 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.350 -3.171 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.293 -2.720 3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.549 -5.575 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.410 -4.219 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.123 -5.737 3.705 1.00 0.00 H new ATOM 985 N LEU A 67 -2.067 -2.299 7.392 1.00 0.00 N ATOM 986 CA LEU A 67 -2.782 -1.803 8.603 1.00 0.00 C ATOM 987 C LEU A 67 -4.240 -1.486 8.258 1.00 0.00 C ATOM 988 O LEU A 67 -5.146 -1.793 9.005 1.00 0.00 O ATOM 989 CB LEU A 67 -2.040 -0.530 9.014 1.00 0.00 C ATOM 990 CG LEU A 67 -0.841 -0.895 9.891 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.363 -0.039 9.490 1.00 0.00 C ATOM 992 CD2 LEU A 67 -1.184 -0.632 11.360 1.00 0.00 C ATOM 0 H LEU A 67 -1.215 -1.792 7.151 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.795 -2.541 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.705 0.009 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.711 0.135 9.557 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.600 -1.950 9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.218 -0.298 10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.608 -0.223 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.121 1.015 9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.330 -0.892 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.424 0.423 11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.042 -1.239 11.648 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.471 -0.874 7.129 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.870 -0.539 6.737 1.00 0.00 C ATOM 1006 C VAL A 68 -6.560 -1.767 6.134 1.00 0.00 C ATOM 1007 O VAL A 68 -5.932 -2.594 5.501 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.735 0.573 5.693 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -5.009 0.040 4.454 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -7.127 1.069 5.294 1.00 0.00 C ATOM 0 H VAL A 68 -3.753 -0.592 6.462 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.474 -0.225 7.588 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.161 1.396 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.917 0.837 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.016 -0.310 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.577 -0.786 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.032 1.861 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.701 0.243 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.641 1.457 6.173 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.844 -1.893 6.325 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.571 -3.068 5.761 1.00 0.00 C ATOM 1022 C LYS A 69 -9.992 -2.665 5.356 1.00 0.00 C ATOM 1023 O LYS A 69 -10.421 -1.552 5.587 1.00 0.00 O ATOM 1024 CB LYS A 69 -8.603 -4.096 6.893 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.215 -5.470 6.344 1.00 0.00 C ATOM 1026 CD LYS A 69 -7.629 -6.325 7.470 1.00 0.00 C ATOM 1027 CE LYS A 69 -6.196 -6.727 7.114 1.00 0.00 C ATOM 1028 NZ LYS A 69 -5.748 -7.592 8.241 1.00 0.00 N ATOM 0 H LYS A 69 -8.422 -1.234 6.847 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.088 -3.464 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.915 -3.802 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.599 -4.137 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.089 -5.962 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.487 -5.360 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.639 -5.768 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.240 -7.215 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.160 -7.264 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.555 -5.852 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.772 -7.908 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.786 -7.052 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.373 -8.420 8.312 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.723 -3.561 4.750 1.00 0.00 N ATOM 1043 CA GLU A 70 -12.115 -3.229 4.329 1.00 0.00 C ATOM 1044 C GLU A 70 -12.996 -2.981 5.556 1.00 0.00 C ATOM 1045 O GLU A 70 -13.791 -3.816 5.940 1.00 0.00 O ATOM 1046 CB GLU A 70 -12.598 -4.458 3.559 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.869 -4.540 2.217 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.365 -5.760 1.440 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -12.145 -6.866 1.907 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -12.957 -5.569 0.391 1.00 0.00 O ATOM 0 H GLU A 70 -10.417 -4.508 4.528 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.159 -2.325 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.413 -5.361 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.674 -4.399 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.045 -3.632 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.794 -4.612 2.379 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.864 -1.838 6.175 1.00 0.00 N ATOM 1058 CA ARG A 71 -13.694 -1.531 7.379 1.00 0.00 C ATOM 1059 C ARG A 71 -13.349 -0.139 7.916 1.00 0.00 C ATOM 1060 O ARG A 71 -14.216 0.685 8.137 1.00 0.00 O ATOM 1061 CB ARG A 71 -13.329 -2.602 8.411 1.00 0.00 C ATOM 1062 CG ARG A 71 -14.608 -3.214 8.987 1.00 0.00 C ATOM 1063 CD ARG A 71 -15.289 -2.199 9.909 1.00 0.00 C ATOM 1064 NE ARG A 71 -14.371 -2.062 11.073 1.00 0.00 N ATOM 1065 CZ ARG A 71 -14.615 -1.171 11.996 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -14.839 -1.550 13.224 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -14.636 0.097 11.689 1.00 0.00 N ATOM 0 H ARG A 71 -12.215 -1.101 5.899 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.760 -1.535 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.720 -3.377 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -12.731 -2.163 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.283 -3.499 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.372 -4.123 9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.434 -1.243 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.274 -2.547 10.221 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.551 -2.664 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.823 -2.542 13.463 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.030 -0.855 13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.462 0.392 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.827 0.793 12.410 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.090 0.128 8.129 1.00 0.00 N ATOM 1082 CA ASP A 72 -11.688 1.464 8.653 1.00 0.00 C ATOM 1083 C ASP A 72 -12.242 2.572 7.754 1.00 0.00 C ATOM 1084 O ASP A 72 -12.231 2.466 6.543 1.00 0.00 O ATOM 1085 CB ASP A 72 -10.160 1.459 8.620 1.00 0.00 C ATOM 1086 CG ASP A 72 -9.620 2.357 9.733 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.060 3.491 9.819 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -8.773 1.896 10.482 1.00 0.00 O ATOM 0 H ASP A 72 -11.322 -0.522 7.963 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.072 1.648 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.787 0.443 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.806 1.811 7.651 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.728 3.634 8.335 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.284 4.746 7.511 1.00 0.00 C ATOM 1095 C ALA A 73 -13.296 6.050 8.315 1.00 0.00 C ATOM 1096 O ALA A 73 -13.263 6.033 9.529 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.710 4.314 7.173 1.00 0.00 C ATOM 0 H ALA A 73 -12.765 3.781 9.344 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.690 4.931 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -15.189 5.082 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.684 3.376 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.276 4.175 8.094 1.00 0.00 H new ATOM 1103 N VAL A 74 -13.343 7.173 7.632 1.00 0.00 N ATOM 1104 CA VAL A 74 -13.361 8.513 8.312 1.00 0.00 C ATOM 1105 C VAL A 74 -12.476 8.525 9.566 1.00 0.00 C ATOM 1106 O VAL A 74 -12.893 8.943 10.628 1.00 0.00 O ATOM 1107 CB VAL A 74 -14.829 8.763 8.676 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -15.683 8.705 7.408 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -15.312 7.698 9.661 1.00 0.00 C ATOM 0 H VAL A 74 -13.370 7.218 6.613 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.962 9.292 7.662 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.920 9.746 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.727 8.882 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.346 9.469 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -15.584 7.722 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.356 7.883 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.219 6.712 9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.706 7.738 10.566 1.00 0.00 H new ATOM 1119 N GLN A 75 -11.259 8.069 9.449 1.00 0.00 N ATOM 1120 CA GLN A 75 -10.351 8.054 10.631 1.00 0.00 C ATOM 1121 C GLN A 75 -8.889 8.112 10.178 1.00 0.00 C ATOM 1122 O GLN A 75 -8.234 7.099 10.031 1.00 0.00 O ATOM 1123 CB GLN A 75 -10.642 6.728 11.334 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.055 6.757 12.747 1.00 0.00 C ATOM 1125 CD GLN A 75 -9.527 5.368 13.111 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -8.865 4.730 12.317 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -9.797 4.870 14.286 1.00 0.00 N ATOM 0 H GLN A 75 -10.854 7.706 8.586 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.513 8.909 11.287 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.718 6.557 11.379 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.212 5.902 10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.250 7.489 12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.817 7.067 13.462 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.353 5.407 14.952 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.452 3.944 14.539 1.00 0.00 H new ATOM 1136 N GLY A 76 -8.372 9.289 9.958 1.00 0.00 N ATOM 1137 CA GLY A 76 -6.953 9.410 9.516 1.00 0.00 C ATOM 1138 C GLY A 76 -6.051 9.591 10.738 1.00 0.00 C ATOM 1139 O GLY A 76 -6.491 9.494 11.866 1.00 0.00 O ATOM 0 H GLY A 76 -8.870 10.173 10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.657 8.520 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.843 10.258 8.841 1.00 0.00 H new ATOM 1143 N GLY A 77 -4.789 9.854 10.523 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.863 10.042 11.677 1.00 0.00 C ATOM 1145 C GLY A 77 -3.121 8.734 11.963 1.00 0.00 C ATOM 1146 O GLY A 77 -2.033 8.733 12.506 1.00 0.00 O ATOM 0 H GLY A 77 -4.361 9.946 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.149 10.836 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.424 10.353 12.558 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.700 7.620 11.605 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.023 6.314 11.862 1.00 0.00 C ATOM 1152 C GLN A 78 -2.370 5.792 10.578 1.00 0.00 C ATOM 1153 O GLN A 78 -2.714 6.199 9.486 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.137 5.372 12.319 1.00 0.00 C ATOM 1155 CG GLN A 78 -3.557 4.321 13.269 1.00 0.00 C ATOM 1156 CD GLN A 78 -3.710 2.931 12.649 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -3.085 2.625 11.653 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -4.520 2.070 13.201 1.00 0.00 N ATOM 0 H GLN A 78 -4.609 7.556 11.147 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.232 6.400 12.607 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.923 5.937 12.820 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.594 4.886 11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.505 4.531 13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.071 4.361 14.229 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.045 2.327 14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.629 1.140 12.796 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.431 4.894 10.702 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.754 4.346 9.492 1.00 0.00 C ATOM 1169 C GLY A 79 -1.785 3.678 8.580 1.00 0.00 C ATOM 1170 O GLY A 79 -2.931 3.501 8.944 1.00 0.00 O ATOM 0 H GLY A 79 -1.103 4.516 11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.244 5.146 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.008 3.624 9.786 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.385 3.302 7.395 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.338 2.640 6.456 1.00 0.00 C ATOM 1176 C LEU A 80 -1.702 1.378 5.866 1.00 0.00 C ATOM 1177 O LEU A 80 -2.225 0.289 5.998 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.596 3.672 5.357 1.00 0.00 C ATOM 1179 CG LEU A 80 -3.092 4.977 5.986 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -3.081 6.085 4.932 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.516 4.782 6.509 1.00 0.00 C ATOM 0 H LEU A 80 -0.438 3.425 7.036 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.260 2.334 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.682 3.853 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.336 3.291 4.653 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.438 5.255 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.434 7.015 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.066 6.223 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.736 5.808 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.869 5.711 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.172 4.504 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.523 3.992 7.260 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.578 1.516 5.215 1.00 0.00 N ATOM 1194 CA ILE A 81 0.091 0.324 4.616 1.00 0.00 C ATOM 1195 C ILE A 81 1.600 0.377 4.878 1.00 0.00 C ATOM 1196 O ILE A 81 2.195 1.435 4.919 1.00 0.00 O ATOM 1197 CB ILE A 81 -0.196 0.421 3.117 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.704 0.312 2.880 1.00 0.00 C ATOM 1199 CG2 ILE A 81 0.518 -0.719 2.388 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -2.235 1.634 2.321 1.00 0.00 C ATOM 0 H ILE A 81 -0.094 2.402 5.072 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.273 -0.611 5.041 1.00 0.00 H new ATOM 0 HB ILE A 81 0.164 1.377 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.915 -0.499 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.212 0.071 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.314 -0.651 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.592 -0.644 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.157 -1.675 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.309 1.553 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.038 2.435 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.736 1.857 1.378 1.00 0.00 H new ATOM 1212 N LYS A 82 2.221 -0.758 5.056 1.00 0.00 N ATOM 1213 CA LYS A 82 3.691 -0.771 5.315 1.00 0.00 C ATOM 1214 C LYS A 82 4.441 -1.257 4.072 1.00 0.00 C ATOM 1215 O LYS A 82 4.095 -2.259 3.478 1.00 0.00 O ATOM 1216 CB LYS A 82 3.882 -1.751 6.473 1.00 0.00 C ATOM 1217 CG LYS A 82 5.268 -1.552 7.089 1.00 0.00 C ATOM 1218 CD LYS A 82 5.170 -1.653 8.612 1.00 0.00 C ATOM 1219 CE LYS A 82 6.535 -2.031 9.190 1.00 0.00 C ATOM 1220 NZ LYS A 82 6.385 -3.445 9.634 1.00 0.00 N ATOM 0 H LYS A 82 1.776 -1.675 5.033 1.00 0.00 H new ATOM 0 HA LYS A 82 4.077 0.220 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.111 -1.593 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.775 -2.776 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.958 -2.305 6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.668 -0.579 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.838 -0.702 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.427 -2.400 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.322 -1.933 8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.805 -1.382 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.282 -3.777 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.634 -3.506 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.135 -4.040 8.819 1.00 0.00 H new ATOM 1234 N ILE A 83 5.466 -0.553 3.673 1.00 0.00 N ATOM 1235 CA ILE A 83 6.237 -0.977 2.469 1.00 0.00 C ATOM 1236 C ILE A 83 7.741 -0.872 2.740 1.00 0.00 C ATOM 1237 O ILE A 83 8.517 -0.528 1.871 1.00 0.00 O ATOM 1238 CB ILE A 83 5.816 -0.004 1.365 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.252 1.417 1.737 1.00 0.00 C ATOM 1240 CG2 ILE A 83 4.296 -0.042 1.204 1.00 0.00 C ATOM 1241 CD1 ILE A 83 7.181 1.966 0.652 1.00 0.00 C ATOM 0 H ILE A 83 5.802 0.296 4.128 1.00 0.00 H new ATOM 0 HA ILE A 83 6.038 -2.013 2.193 1.00 0.00 H new ATOM 0 HB ILE A 83 6.290 -0.295 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.379 2.061 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.763 1.412 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.996 0.651 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.984 -1.051 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.823 0.247 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.491 2.977 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.060 1.327 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.654 1.986 -0.302 1.00 0.00 H new ATOM 1253 N GLY A 84 8.157 -1.164 3.942 1.00 0.00 N ATOM 1254 CA GLY A 84 9.609 -1.079 4.269 1.00 0.00 C ATOM 1255 C GLY A 84 9.780 -0.689 5.737 1.00 0.00 C ATOM 1256 O GLY A 84 10.809 -0.122 6.063 1.00 0.00 O ATOM 1257 OXT GLY A 84 8.878 -0.966 6.512 1.00 0.00 O ATOM 0 H GLY A 84 7.555 -1.458 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.092 -2.037 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.094 -0.344 3.628 1.00 0.00 H new TER 1261 GLY A 84