USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 30 GLN : amide:sc= -4.11! C(o=-12!,f=-15!) USER MOD Set 1.2: A 47 HIS : no HE2:sc= -8.38! C(o=-12!,f=-14!) USER MOD Set 2.1: A 34 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.2!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 166:sc=-7.87e-05 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2! K(o=-2!,f=-1.4) USER MOD Single : A 26 SER OG : rot 180:sc= -1.91! USER MOD Single : A 31 CYS SG : rot -37:sc= 0.112 USER MOD Single : A 36 ASN : amide:sc= -20.3! C(o=-20!,f=-34!) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.1) USER MOD Single : A 40 LYS NZ :NH3+ -154:sc= -1.59 (180deg=-2.86!) USER MOD Single : A 48 THR OG1 : rot 76:sc= -0.36! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.473 (180deg=-1.68!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0497 X(o=-0.05,f=0.35) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.384 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -9.077 -10.627 -2.548 1.00 0.00 N ATOM 2 CA GLU A 16 -7.944 -10.521 -1.585 1.00 0.00 C ATOM 3 C GLU A 16 -7.360 -9.105 -1.610 1.00 0.00 C ATOM 4 O GLU A 16 -6.172 -8.910 -1.441 1.00 0.00 O ATOM 5 CB GLU A 16 -6.913 -11.538 -2.074 1.00 0.00 C ATOM 6 CG GLU A 16 -6.566 -12.502 -0.938 1.00 0.00 C ATOM 7 CD GLU A 16 -7.416 -13.767 -1.064 1.00 0.00 C ATOM 8 OE1 GLU A 16 -7.997 -13.964 -2.119 1.00 0.00 O ATOM 9 OE2 GLU A 16 -7.472 -14.519 -0.104 1.00 0.00 O ATOM 0 HA GLU A 16 -8.253 -10.717 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.308 -12.091 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.014 -11.025 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.507 -12.758 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.746 -12.025 0.025 1.00 0.00 H new ATOM 16 N GLU A 17 -8.186 -8.116 -1.817 1.00 0.00 N ATOM 17 CA GLU A 17 -7.682 -6.714 -1.849 1.00 0.00 C ATOM 18 C GLU A 17 -8.763 -5.754 -1.344 1.00 0.00 C ATOM 19 O GLU A 17 -9.763 -5.534 -1.995 1.00 0.00 O ATOM 20 CB GLU A 17 -7.365 -6.440 -3.321 1.00 0.00 C ATOM 21 CG GLU A 17 -8.656 -6.493 -4.140 1.00 0.00 C ATOM 22 CD GLU A 17 -8.327 -6.871 -5.586 1.00 0.00 C ATOM 23 OE1 GLU A 17 -7.916 -5.996 -6.327 1.00 0.00 O ATOM 24 OE2 GLU A 17 -8.494 -8.031 -5.925 1.00 0.00 O ATOM 0 H GLU A 17 -9.190 -8.219 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.809 -6.573 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.895 -5.462 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.655 -7.178 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.343 -7.222 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.158 -5.526 -4.111 1.00 0.00 H new ATOM 31 N GLU A 18 -8.569 -5.185 -0.186 1.00 0.00 N ATOM 32 CA GLU A 18 -9.589 -4.244 0.362 1.00 0.00 C ATOM 33 C GLU A 18 -9.857 -3.109 -0.632 1.00 0.00 C ATOM 34 O GLU A 18 -9.049 -2.220 -0.808 1.00 0.00 O ATOM 35 CB GLU A 18 -8.969 -3.694 1.647 1.00 0.00 C ATOM 36 CG GLU A 18 -8.880 -4.809 2.691 1.00 0.00 C ATOM 37 CD GLU A 18 -9.929 -4.573 3.779 1.00 0.00 C ATOM 38 OE1 GLU A 18 -9.785 -3.608 4.512 1.00 0.00 O ATOM 39 OE2 GLU A 18 -10.857 -5.360 3.859 1.00 0.00 O ATOM 0 H GLU A 18 -7.750 -5.330 0.404 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.545 -4.735 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.976 -3.294 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.571 -2.870 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.042 -5.778 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.883 -4.831 3.131 1.00 0.00 H new ATOM 46 N SER A 19 -10.991 -3.132 -1.278 1.00 0.00 N ATOM 47 CA SER A 19 -11.316 -2.053 -2.255 1.00 0.00 C ATOM 48 C SER A 19 -12.280 -1.046 -1.623 1.00 0.00 C ATOM 49 O SER A 19 -13.234 -0.612 -2.238 1.00 0.00 O ATOM 50 CB SER A 19 -11.984 -2.770 -3.429 1.00 0.00 C ATOM 51 OG SER A 19 -11.433 -2.292 -4.648 1.00 0.00 O ATOM 0 H SER A 19 -11.707 -3.851 -1.172 1.00 0.00 H new ATOM 0 HA SER A 19 -10.432 -1.497 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.833 -3.846 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.060 -2.597 -3.411 1.00 0.00 H new ATOM 0 HG SER A 19 -11.859 -2.752 -5.402 1.00 0.00 H new ATOM 57 N PHE A 20 -12.042 -0.675 -0.394 1.00 0.00 N ATOM 58 CA PHE A 20 -12.949 0.300 0.280 1.00 0.00 C ATOM 59 C PHE A 20 -12.685 1.720 -0.230 1.00 0.00 C ATOM 60 O PHE A 20 -12.459 2.635 0.536 1.00 0.00 O ATOM 61 CB PHE A 20 -12.615 0.189 1.768 1.00 0.00 C ATOM 62 CG PHE A 20 -13.673 -0.641 2.456 1.00 0.00 C ATOM 63 CD1 PHE A 20 -14.987 -0.167 2.543 1.00 0.00 C ATOM 64 CD2 PHE A 20 -13.341 -1.886 3.004 1.00 0.00 C ATOM 65 CE1 PHE A 20 -15.969 -0.938 3.177 1.00 0.00 C ATOM 66 CE2 PHE A 20 -14.322 -2.657 3.638 1.00 0.00 C ATOM 67 CZ PHE A 20 -15.637 -2.183 3.724 1.00 0.00 C ATOM 0 H PHE A 20 -11.260 -1.004 0.172 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.000 0.088 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.635 -0.269 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -12.566 1.181 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.244 0.794 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.327 -2.252 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -16.983 -0.572 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.065 -3.617 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 20 -16.395 -2.778 4.212 1.00 0.00 H new ATOM 77 N GLY A 21 -12.722 1.908 -1.520 1.00 0.00 N ATOM 78 CA GLY A 21 -12.485 3.266 -2.089 1.00 0.00 C ATOM 79 C GLY A 21 -11.101 3.780 -1.680 1.00 0.00 C ATOM 80 O GLY A 21 -10.962 4.912 -1.261 1.00 0.00 O ATOM 0 H GLY A 21 -12.907 1.178 -2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.561 3.231 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.254 3.954 -1.738 1.00 0.00 H new ATOM 84 N PRO A 22 -10.118 2.932 -1.824 1.00 0.00 N ATOM 85 CA PRO A 22 -8.729 3.314 -1.473 1.00 0.00 C ATOM 86 C PRO A 22 -8.162 4.280 -2.518 1.00 0.00 C ATOM 87 O PRO A 22 -8.219 4.028 -3.706 1.00 0.00 O ATOM 88 CB PRO A 22 -7.975 1.988 -1.494 1.00 0.00 C ATOM 89 CG PRO A 22 -8.768 1.108 -2.408 1.00 0.00 C ATOM 90 CD PRO A 22 -10.205 1.554 -2.319 1.00 0.00 C ATOM 0 HA PRO A 22 -8.654 3.825 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.956 2.119 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.904 1.558 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -8.403 1.188 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.671 0.062 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.698 1.509 -3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.778 0.922 -1.641 1.00 0.00 H new ATOM 98 N GLN A 23 -7.610 5.381 -2.087 1.00 0.00 N ATOM 99 CA GLN A 23 -7.038 6.355 -3.062 1.00 0.00 C ATOM 100 C GLN A 23 -5.882 7.131 -2.432 1.00 0.00 C ATOM 101 O GLN A 23 -4.751 6.986 -2.850 1.00 0.00 O ATOM 102 CB GLN A 23 -8.193 7.288 -3.431 1.00 0.00 C ATOM 103 CG GLN A 23 -8.695 6.951 -4.837 1.00 0.00 C ATOM 104 CD GLN A 23 -10.009 6.173 -4.736 1.00 0.00 C ATOM 105 OE1 GLN A 23 -11.025 6.720 -4.354 1.00 0.00 O ATOM 106 NE2 GLN A 23 -10.033 4.910 -5.066 1.00 0.00 N ATOM 0 H GLN A 23 -7.530 5.648 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.630 5.859 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.003 7.183 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.863 8.326 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.845 7.866 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.950 6.360 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.181 4.450 -5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.904 4.383 -5.003 1.00 0.00 H new ATOM 115 N PRO A 24 -6.185 7.925 -1.441 1.00 0.00 N ATOM 116 CA PRO A 24 -5.123 8.707 -0.767 1.00 0.00 C ATOM 117 C PRO A 24 -4.223 7.770 0.036 1.00 0.00 C ATOM 118 O PRO A 24 -4.050 7.926 1.229 1.00 0.00 O ATOM 119 CB PRO A 24 -5.893 9.653 0.148 1.00 0.00 C ATOM 120 CG PRO A 24 -7.200 8.968 0.389 1.00 0.00 C ATOM 121 CD PRO A 24 -7.510 8.178 -0.855 1.00 0.00 C ATOM 0 HA PRO A 24 -4.472 9.243 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.357 9.824 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.037 10.627 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.139 8.313 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.986 9.695 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.029 7.249 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.150 8.738 -1.537 1.00 0.00 H new ATOM 129 N ILE A 25 -3.643 6.798 -0.613 1.00 0.00 N ATOM 130 CA ILE A 25 -2.750 5.853 0.103 1.00 0.00 C ATOM 131 C ILE A 25 -1.423 6.541 0.412 1.00 0.00 C ATOM 132 O ILE A 25 -0.630 6.065 1.199 1.00 0.00 O ATOM 133 CB ILE A 25 -2.541 4.696 -0.874 1.00 0.00 C ATOM 134 CG1 ILE A 25 -3.898 4.089 -1.234 1.00 0.00 C ATOM 135 CG2 ILE A 25 -1.661 3.627 -0.222 1.00 0.00 C ATOM 136 CD1 ILE A 25 -4.510 3.435 0.006 1.00 0.00 C ATOM 0 H ILE A 25 -3.751 6.620 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.167 5.512 1.051 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.053 5.064 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.564 4.862 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.779 3.350 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.513 2.803 -0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.695 4.060 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.147 3.256 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.477 3.002 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.846 2.650 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.644 4.186 0.785 1.00 0.00 H new ATOM 148 N SER A 26 -1.179 7.658 -0.213 1.00 0.00 N ATOM 149 CA SER A 26 0.101 8.390 0.023 1.00 0.00 C ATOM 150 C SER A 26 0.247 8.798 1.496 1.00 0.00 C ATOM 151 O SER A 26 1.084 8.285 2.211 1.00 0.00 O ATOM 152 CB SER A 26 0.013 9.631 -0.867 1.00 0.00 C ATOM 153 OG SER A 26 -0.995 9.436 -1.851 1.00 0.00 O ATOM 0 H SER A 26 -1.812 8.099 -0.880 1.00 0.00 H new ATOM 0 HA SER A 26 0.967 7.770 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.217 10.509 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.974 9.817 -1.347 1.00 0.00 H new ATOM 0 HG SER A 26 -1.054 10.231 -2.421 1.00 0.00 H new ATOM 159 N ARG A 27 -0.548 9.734 1.942 1.00 0.00 N ATOM 160 CA ARG A 27 -0.454 10.206 3.358 1.00 0.00 C ATOM 161 C ARG A 27 -0.126 9.061 4.328 1.00 0.00 C ATOM 162 O ARG A 27 0.640 9.230 5.253 1.00 0.00 O ATOM 163 CB ARG A 27 -1.837 10.785 3.668 1.00 0.00 C ATOM 164 CG ARG A 27 -1.841 12.286 3.369 1.00 0.00 C ATOM 165 CD ARG A 27 -2.845 12.996 4.283 1.00 0.00 C ATOM 166 NE ARG A 27 -2.176 14.270 4.671 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.887 15.290 5.075 1.00 0.00 C ATOM 168 NH1 ARG A 27 -4.186 15.194 5.161 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.296 16.410 5.396 1.00 0.00 N ATOM 0 H ARG A 27 -1.265 10.196 1.383 1.00 0.00 H new ATOM 0 HA ARG A 27 0.348 10.934 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.596 10.282 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.090 10.611 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.843 12.699 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.102 12.457 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.785 13.185 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.079 12.390 5.158 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.160 14.346 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.650 14.321 4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.737 15.992 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.281 16.488 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.850 17.207 5.711 1.00 0.00 H new ATOM 183 N LEU A 28 -0.705 7.908 4.150 1.00 0.00 N ATOM 184 CA LEU A 28 -0.423 6.786 5.100 1.00 0.00 C ATOM 185 C LEU A 28 0.806 5.980 4.685 1.00 0.00 C ATOM 186 O LEU A 28 1.848 6.061 5.304 1.00 0.00 O ATOM 187 CB LEU A 28 -1.675 5.911 5.056 1.00 0.00 C ATOM 188 CG LEU A 28 -2.517 6.161 6.310 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.683 5.174 6.343 1.00 0.00 C ATOM 190 CD2 LEU A 28 -1.650 5.963 7.556 1.00 0.00 C ATOM 0 H LEU A 28 -1.357 7.690 3.396 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.206 7.161 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.258 6.136 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.395 4.859 4.997 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.901 7.181 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.284 5.350 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.301 5.312 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.297 4.155 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.250 6.141 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.266 4.943 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.816 6.664 7.534 1.00 0.00 H new ATOM 202 N GLU A 29 0.688 5.177 3.670 1.00 0.00 N ATOM 203 CA GLU A 29 1.846 4.340 3.253 1.00 0.00 C ATOM 204 C GLU A 29 3.110 5.188 3.032 1.00 0.00 C ATOM 205 O GLU A 29 4.216 4.720 3.207 1.00 0.00 O ATOM 206 CB GLU A 29 1.402 3.677 1.944 1.00 0.00 C ATOM 207 CG GLU A 29 1.517 4.670 0.787 1.00 0.00 C ATOM 208 CD GLU A 29 2.884 4.516 0.117 1.00 0.00 C ATOM 209 OE1 GLU A 29 3.190 3.417 -0.314 1.00 0.00 O ATOM 210 OE2 GLU A 29 3.600 5.502 0.044 1.00 0.00 O ATOM 0 H GLU A 29 -0.157 5.062 3.111 1.00 0.00 H new ATOM 0 HA GLU A 29 2.109 3.612 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.018 2.801 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.373 3.329 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.723 4.493 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.393 5.689 1.154 1.00 0.00 H new ATOM 217 N GLN A 30 2.968 6.415 2.611 1.00 0.00 N ATOM 218 CA GLN A 30 4.179 7.249 2.346 1.00 0.00 C ATOM 219 C GLN A 30 4.644 8.067 3.567 1.00 0.00 C ATOM 220 O GLN A 30 5.812 8.372 3.696 1.00 0.00 O ATOM 221 CB GLN A 30 3.765 8.188 1.216 1.00 0.00 C ATOM 222 CG GLN A 30 4.982 8.989 0.752 1.00 0.00 C ATOM 223 CD GLN A 30 4.521 10.173 -0.100 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.876 10.278 -1.257 1.00 0.00 O ATOM 225 NE2 GLN A 30 3.739 11.075 0.426 1.00 0.00 N ATOM 0 H GLN A 30 2.074 6.875 2.440 1.00 0.00 H new ATOM 0 HA GLN A 30 5.027 6.611 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.354 7.616 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.980 8.863 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.546 9.346 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.652 8.351 0.175 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.441 10.987 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.426 11.868 -0.134 1.00 0.00 H new ATOM 234 N CYS A 31 3.754 8.472 4.436 1.00 0.00 N ATOM 235 CA CYS A 31 4.191 9.319 5.594 1.00 0.00 C ATOM 236 C CYS A 31 4.840 8.488 6.703 1.00 0.00 C ATOM 237 O CYS A 31 5.177 9.003 7.751 1.00 0.00 O ATOM 238 CB CYS A 31 2.913 9.977 6.107 1.00 0.00 C ATOM 239 SG CYS A 31 3.338 11.279 7.290 1.00 0.00 S ATOM 0 H CYS A 31 2.757 8.259 4.399 1.00 0.00 H new ATOM 0 HA CYS A 31 4.945 10.043 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.348 10.397 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.274 9.233 6.583 1.00 0.00 H new ATOM 0 HG CYS A 31 4.357 10.901 8.003 1.00 0.00 H new ATOM 245 N GLY A 32 5.033 7.222 6.491 1.00 0.00 N ATOM 246 CA GLY A 32 5.676 6.393 7.549 1.00 0.00 C ATOM 247 C GLY A 32 4.695 5.330 8.036 1.00 0.00 C ATOM 248 O GLY A 32 4.394 5.238 9.209 1.00 0.00 O ATOM 0 H GLY A 32 4.777 6.724 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.576 5.919 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.986 7.025 8.382 1.00 0.00 H new ATOM 252 N ILE A 33 4.204 4.522 7.143 1.00 0.00 N ATOM 253 CA ILE A 33 3.254 3.458 7.542 1.00 0.00 C ATOM 254 C ILE A 33 4.048 2.263 8.089 1.00 0.00 C ATOM 255 O ILE A 33 4.870 2.416 8.972 1.00 0.00 O ATOM 256 CB ILE A 33 2.515 3.129 6.242 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.338 2.190 6.534 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.486 2.468 5.253 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.022 2.922 6.271 1.00 0.00 C ATOM 0 H ILE A 33 4.423 4.555 6.147 1.00 0.00 H new ATOM 0 HA ILE A 33 2.556 3.742 8.329 1.00 0.00 H new ATOM 0 HB ILE A 33 2.129 4.049 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.404 1.302 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.377 1.852 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.960 2.234 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.309 3.150 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.880 1.550 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.814 2.254 6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.043 3.797 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.017 3.238 5.229 1.00 0.00 H new ATOM 271 N ASN A 34 3.838 1.087 7.574 1.00 0.00 N ATOM 272 CA ASN A 34 4.617 -0.086 8.071 1.00 0.00 C ATOM 273 C ASN A 34 5.889 -0.240 7.234 1.00 0.00 C ATOM 274 O ASN A 34 6.342 0.699 6.611 1.00 0.00 O ATOM 275 CB ASN A 34 3.691 -1.289 7.887 1.00 0.00 C ATOM 276 CG ASN A 34 3.628 -2.081 9.194 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.295 -1.540 10.231 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.936 -3.349 9.190 1.00 0.00 N ATOM 0 H ASN A 34 3.166 0.884 6.835 1.00 0.00 H new ATOM 0 HA ASN A 34 4.925 0.020 9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.693 -0.955 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.057 -1.924 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.897 -3.886 10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.215 -3.803 8.320 1.00 0.00 H new ATOM 285 N ALA A 35 6.467 -1.411 7.193 1.00 0.00 N ATOM 286 CA ALA A 35 7.700 -1.588 6.370 1.00 0.00 C ATOM 287 C ALA A 35 7.465 -1.017 4.979 1.00 0.00 C ATOM 288 O ALA A 35 8.340 -0.430 4.374 1.00 0.00 O ATOM 289 CB ALA A 35 7.912 -3.095 6.259 1.00 0.00 C ATOM 0 H ALA A 35 6.144 -2.243 7.687 1.00 0.00 H new ATOM 0 HA ALA A 35 8.558 -1.084 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.804 -3.294 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.037 -3.519 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.046 -3.550 5.777 1.00 0.00 H new ATOM 295 N ASN A 36 6.288 -1.219 4.463 1.00 0.00 N ATOM 296 CA ASN A 36 5.970 -0.726 3.092 1.00 0.00 C ATOM 297 C ASN A 36 6.601 0.631 2.832 1.00 0.00 C ATOM 298 O ASN A 36 7.461 0.757 1.982 1.00 0.00 O ATOM 299 CB ASN A 36 4.441 -0.590 2.977 1.00 0.00 C ATOM 300 CG ASN A 36 3.771 -0.569 4.356 1.00 0.00 C ATOM 301 OD1 ASN A 36 4.277 0.035 5.278 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.648 -1.211 4.537 1.00 0.00 N ATOM 0 H ASN A 36 5.526 -1.707 4.933 1.00 0.00 H new ATOM 0 HA ASN A 36 6.365 -1.432 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.196 0.326 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.044 -1.420 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.198 -1.204 5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.221 -1.720 3.763 1.00 0.00 H new ATOM 309 N ASP A 37 6.152 1.647 3.527 1.00 0.00 N ATOM 310 CA ASP A 37 6.693 3.021 3.306 1.00 0.00 C ATOM 311 C ASP A 37 8.116 2.959 2.752 1.00 0.00 C ATOM 312 O ASP A 37 8.360 3.229 1.590 1.00 0.00 O ATOM 313 CB ASP A 37 6.688 3.672 4.689 1.00 0.00 C ATOM 314 CG ASP A 37 7.550 4.937 4.661 1.00 0.00 C ATOM 315 OD1 ASP A 37 7.400 5.710 3.729 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.345 5.109 5.569 1.00 0.00 O ATOM 0 H ASP A 37 5.428 1.581 4.243 1.00 0.00 H new ATOM 0 HA ASP A 37 6.101 3.581 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.668 3.921 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.072 2.974 5.433 1.00 0.00 H new ATOM 321 N VAL A 38 9.043 2.589 3.579 1.00 0.00 N ATOM 322 CA VAL A 38 10.459 2.495 3.142 1.00 0.00 C ATOM 323 C VAL A 38 10.621 1.687 1.846 1.00 0.00 C ATOM 324 O VAL A 38 11.108 2.191 0.858 1.00 0.00 O ATOM 325 CB VAL A 38 11.167 1.784 4.297 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.615 1.491 3.901 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.152 2.682 5.536 1.00 0.00 C ATOM 0 H VAL A 38 8.879 2.343 4.555 1.00 0.00 H new ATOM 0 HA VAL A 38 10.869 3.481 2.924 1.00 0.00 H new ATOM 0 HB VAL A 38 10.652 0.849 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.121 0.984 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.629 0.853 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.128 2.427 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.656 2.175 6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.668 3.616 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.121 2.895 5.819 1.00 0.00 H new ATOM 337 N LYS A 39 10.267 0.430 1.846 1.00 0.00 N ATOM 338 CA LYS A 39 10.478 -0.394 0.614 1.00 0.00 C ATOM 339 C LYS A 39 9.348 -0.251 -0.411 1.00 0.00 C ATOM 340 O LYS A 39 9.577 0.120 -1.549 1.00 0.00 O ATOM 341 CB LYS A 39 10.541 -1.834 1.121 1.00 0.00 C ATOM 342 CG LYS A 39 11.644 -1.954 2.174 1.00 0.00 C ATOM 343 CD LYS A 39 11.017 -1.975 3.568 1.00 0.00 C ATOM 344 CE LYS A 39 11.645 -3.100 4.398 1.00 0.00 C ATOM 345 NZ LYS A 39 13.038 -2.648 4.688 1.00 0.00 N ATOM 0 H LYS A 39 9.845 -0.060 2.635 1.00 0.00 H new ATOM 0 HA LYS A 39 11.379 -0.073 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.581 -2.123 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.738 -2.515 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.221 -2.864 2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.337 -1.117 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.172 -1.016 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.940 -2.124 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.087 -3.268 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.644 -4.041 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.447 -3.242 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.616 -2.731 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.023 -1.656 5.001 1.00 0.00 H new ATOM 359 N LYS A 40 8.144 -0.580 -0.034 1.00 0.00 N ATOM 360 CA LYS A 40 7.009 -0.510 -0.999 1.00 0.00 C ATOM 361 C LYS A 40 7.117 0.706 -1.921 1.00 0.00 C ATOM 362 O LYS A 40 7.128 0.572 -3.127 1.00 0.00 O ATOM 363 CB LYS A 40 5.758 -0.402 -0.143 1.00 0.00 C ATOM 364 CG LYS A 40 4.910 -1.668 -0.306 1.00 0.00 C ATOM 365 CD LYS A 40 3.545 -1.289 -0.868 1.00 0.00 C ATOM 366 CE LYS A 40 2.983 -0.114 -0.073 1.00 0.00 C ATOM 367 NZ LYS A 40 1.502 -0.227 -0.196 1.00 0.00 N ATOM 0 H LYS A 40 7.895 -0.895 0.904 1.00 0.00 H new ATOM 0 HA LYS A 40 7.000 -1.385 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.032 -0.268 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.180 0.475 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.409 -2.371 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.794 -2.169 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.634 -1.022 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.866 -2.140 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.295 -0.160 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.339 0.836 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.071 0.713 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.260 -0.608 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.140 -0.865 0.541 1.00 0.00 H new ATOM 381 N LEU A 41 7.150 1.893 -1.376 1.00 0.00 N ATOM 382 CA LEU A 41 7.192 3.101 -2.257 1.00 0.00 C ATOM 383 C LEU A 41 8.606 3.541 -2.665 1.00 0.00 C ATOM 384 O LEU A 41 8.766 4.247 -3.640 1.00 0.00 O ATOM 385 CB LEU A 41 6.506 4.197 -1.440 1.00 0.00 C ATOM 386 CG LEU A 41 7.505 4.830 -0.470 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.061 6.122 -1.072 1.00 0.00 C ATOM 388 CD2 LEU A 41 6.793 5.142 0.844 1.00 0.00 C ATOM 0 H LEU A 41 7.150 2.080 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 41 6.701 2.885 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.101 4.959 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.666 3.778 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 41 8.328 4.139 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.772 6.570 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.564 5.898 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.244 6.820 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.498 5.594 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.973 5.835 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.399 4.220 1.272 1.00 0.00 H new ATOM 400 N GLU A 42 9.629 3.191 -1.941 1.00 0.00 N ATOM 401 CA GLU A 42 10.978 3.685 -2.348 1.00 0.00 C ATOM 402 C GLU A 42 11.355 3.229 -3.762 1.00 0.00 C ATOM 403 O GLU A 42 11.901 3.995 -4.533 1.00 0.00 O ATOM 404 CB GLU A 42 11.968 3.126 -1.327 1.00 0.00 C ATOM 405 CG GLU A 42 13.397 3.276 -1.861 1.00 0.00 C ATOM 406 CD GLU A 42 14.397 3.024 -0.731 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.957 2.797 0.383 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.587 3.064 -1.001 1.00 0.00 O ATOM 0 H GLU A 42 9.598 2.602 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 42 10.989 4.775 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.866 3.655 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.750 2.076 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.568 2.571 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.540 4.276 -2.270 1.00 0.00 H new ATOM 415 N GLU A 43 11.096 2.003 -4.117 1.00 0.00 N ATOM 416 CA GLU A 43 11.475 1.552 -5.481 1.00 0.00 C ATOM 417 C GLU A 43 10.585 2.243 -6.524 1.00 0.00 C ATOM 418 O GLU A 43 11.053 3.002 -7.347 1.00 0.00 O ATOM 419 CB GLU A 43 11.282 0.024 -5.446 1.00 0.00 C ATOM 420 CG GLU A 43 10.507 -0.468 -6.673 1.00 0.00 C ATOM 421 CD GLU A 43 10.977 -1.875 -7.048 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.103 -2.210 -6.715 1.00 0.00 O ATOM 423 OE2 GLU A 43 10.206 -2.593 -7.661 1.00 0.00 O ATOM 0 H GLU A 43 10.644 1.302 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 43 12.498 1.806 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.255 -0.467 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.747 -0.256 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.438 -0.475 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.661 0.213 -7.510 1.00 0.00 H new ATOM 430 N ALA A 44 9.310 1.977 -6.496 1.00 0.00 N ATOM 431 CA ALA A 44 8.393 2.609 -7.488 1.00 0.00 C ATOM 432 C ALA A 44 7.860 3.938 -6.958 1.00 0.00 C ATOM 433 O ALA A 44 8.025 4.977 -7.566 1.00 0.00 O ATOM 434 CB ALA A 44 7.243 1.619 -7.639 1.00 0.00 C ATOM 0 H ALA A 44 8.861 1.349 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 44 8.897 2.818 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.519 2.009 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.629 0.664 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.757 1.475 -6.674 1.00 0.00 H new ATOM 440 N GLY A 45 7.201 3.903 -5.837 1.00 0.00 N ATOM 441 CA GLY A 45 6.630 5.150 -5.267 1.00 0.00 C ATOM 442 C GLY A 45 5.108 5.017 -5.249 1.00 0.00 C ATOM 443 O GLY A 45 4.395 5.828 -5.803 1.00 0.00 O ATOM 0 H GLY A 45 7.033 3.060 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.009 5.314 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.929 6.012 -5.864 1.00 0.00 H new ATOM 447 N PHE A 46 4.609 3.985 -4.621 1.00 0.00 N ATOM 448 CA PHE A 46 3.118 3.780 -4.572 1.00 0.00 C ATOM 449 C PHE A 46 2.459 4.693 -3.528 1.00 0.00 C ATOM 450 O PHE A 46 1.422 4.371 -2.984 1.00 0.00 O ATOM 451 CB PHE A 46 2.904 2.316 -4.176 1.00 0.00 C ATOM 452 CG PHE A 46 3.755 1.428 -5.039 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.070 1.176 -4.667 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.237 0.872 -6.215 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.878 0.372 -5.456 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.049 0.057 -7.011 1.00 0.00 C ATOM 457 CZ PHE A 46 5.374 -0.194 -6.631 1.00 0.00 C ATOM 0 H PHE A 46 5.160 3.274 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 46 2.670 4.020 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.160 2.172 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.853 2.049 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.464 1.608 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.216 1.071 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.900 0.182 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.655 -0.378 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.004 -0.822 -7.243 1.00 0.00 H new ATOM 467 N HIS A 47 3.040 5.822 -3.245 1.00 0.00 N ATOM 468 CA HIS A 47 2.425 6.735 -2.238 1.00 0.00 C ATOM 469 C HIS A 47 1.171 7.396 -2.820 1.00 0.00 C ATOM 470 O HIS A 47 1.153 8.579 -3.083 1.00 0.00 O ATOM 471 CB HIS A 47 3.499 7.781 -1.935 1.00 0.00 C ATOM 472 CG HIS A 47 4.042 8.338 -3.220 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.259 8.996 -3.283 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.548 8.339 -4.500 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.456 9.363 -4.561 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.442 8.987 -5.346 1.00 0.00 N ATOM 0 H HIS A 47 3.909 6.154 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 47 2.114 6.206 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.078 8.583 -1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.304 7.331 -1.354 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.891 9.170 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.608 7.903 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.327 9.897 -4.911 1.00 0.00 H new ATOM 484 N THR A 48 0.126 6.626 -3.015 1.00 0.00 N ATOM 485 CA THR A 48 -1.150 7.174 -3.576 1.00 0.00 C ATOM 486 C THR A 48 -2.006 6.034 -4.138 1.00 0.00 C ATOM 487 O THR A 48 -1.660 4.875 -4.030 1.00 0.00 O ATOM 488 CB THR A 48 -0.756 8.128 -4.714 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.894 8.368 -5.530 1.00 0.00 O ATOM 490 CG2 THR A 48 0.355 7.512 -5.571 1.00 0.00 C ATOM 0 H THR A 48 0.104 5.628 -2.806 1.00 0.00 H new ATOM 0 HA THR A 48 -1.727 7.687 -2.807 1.00 0.00 H new ATOM 0 HB THR A 48 -0.393 9.062 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.498 8.990 -5.074 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.621 8.202 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.230 7.322 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.005 6.574 -6.001 1.00 0.00 H new ATOM 498 N VAL A 49 -3.118 6.366 -4.742 1.00 0.00 N ATOM 499 CA VAL A 49 -4.014 5.322 -5.333 1.00 0.00 C ATOM 500 C VAL A 49 -3.192 4.173 -5.926 1.00 0.00 C ATOM 501 O VAL A 49 -3.625 3.038 -5.957 1.00 0.00 O ATOM 502 CB VAL A 49 -4.776 6.047 -6.444 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.745 5.074 -7.121 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.560 7.218 -5.850 1.00 0.00 C ATOM 0 H VAL A 49 -3.448 7.325 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.676 4.884 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.067 6.424 -7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.287 5.592 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.186 4.242 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.453 4.694 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.102 7.733 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.268 6.844 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.870 7.913 -5.372 1.00 0.00 H new ATOM 514 N GLU A 50 -2.012 4.463 -6.402 1.00 0.00 N ATOM 515 CA GLU A 50 -1.155 3.396 -6.999 1.00 0.00 C ATOM 516 C GLU A 50 -1.240 2.113 -6.168 1.00 0.00 C ATOM 517 O GLU A 50 -1.055 1.022 -6.670 1.00 0.00 O ATOM 518 CB GLU A 50 0.264 3.963 -6.951 1.00 0.00 C ATOM 519 CG GLU A 50 0.877 3.932 -8.352 1.00 0.00 C ATOM 520 CD GLU A 50 1.890 5.070 -8.490 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.233 5.658 -7.479 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.307 5.335 -9.607 1.00 0.00 O ATOM 0 H GLU A 50 -1.602 5.397 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.466 3.139 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.245 4.986 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.876 3.381 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.365 2.973 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.095 4.033 -9.105 1.00 0.00 H new ATOM 529 N ALA A 51 -1.510 2.238 -4.900 1.00 0.00 N ATOM 530 CA ALA A 51 -1.597 1.030 -4.032 1.00 0.00 C ATOM 531 C ALA A 51 -2.764 0.134 -4.460 1.00 0.00 C ATOM 532 O ALA A 51 -2.871 -0.999 -4.038 1.00 0.00 O ATOM 533 CB ALA A 51 -1.835 1.579 -2.625 1.00 0.00 C ATOM 0 H ALA A 51 -1.675 3.126 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.698 0.417 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.912 0.751 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.003 2.223 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.760 2.155 -2.611 1.00 0.00 H new ATOM 539 N VAL A 52 -3.643 0.630 -5.290 1.00 0.00 N ATOM 540 CA VAL A 52 -4.800 -0.202 -5.727 1.00 0.00 C ATOM 541 C VAL A 52 -5.106 0.029 -7.211 1.00 0.00 C ATOM 542 O VAL A 52 -4.737 1.034 -7.784 1.00 0.00 O ATOM 543 CB VAL A 52 -5.968 0.275 -4.865 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.613 0.125 -3.384 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.254 1.747 -5.172 1.00 0.00 C ATOM 0 H VAL A 52 -3.610 1.571 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.604 -1.268 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.850 -0.326 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.449 0.466 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.406 -0.922 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.731 0.724 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.087 2.091 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.369 2.344 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.510 1.856 -6.226 1.00 0.00 H new ATOM 555 N ALA A 53 -5.785 -0.897 -7.834 1.00 0.00 N ATOM 556 CA ALA A 53 -6.128 -0.736 -9.278 1.00 0.00 C ATOM 557 C ALA A 53 -4.878 -0.412 -10.101 1.00 0.00 C ATOM 558 O ALA A 53 -4.770 0.648 -10.685 1.00 0.00 O ATOM 559 CB ALA A 53 -7.114 0.432 -9.324 1.00 0.00 C ATOM 0 H ALA A 53 -6.118 -1.760 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.550 -1.649 -9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.415 0.614 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.993 0.190 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.638 1.326 -8.922 1.00 0.00 H new ATOM 565 N TYR A 54 -3.938 -1.317 -10.163 1.00 0.00 N ATOM 566 CA TYR A 54 -2.705 -1.055 -10.963 1.00 0.00 C ATOM 567 C TYR A 54 -1.778 -2.280 -10.946 1.00 0.00 C ATOM 568 O TYR A 54 -1.824 -3.111 -11.831 1.00 0.00 O ATOM 569 CB TYR A 54 -2.039 0.153 -10.297 1.00 0.00 C ATOM 570 CG TYR A 54 -0.868 0.599 -11.139 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.096 1.241 -12.362 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.442 0.370 -10.703 1.00 0.00 C ATOM 573 CE1 TYR A 54 -0.014 1.653 -13.150 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.525 0.781 -11.490 1.00 0.00 C ATOM 575 CZ TYR A 54 1.295 1.423 -12.713 1.00 0.00 C ATOM 576 OH TYR A 54 2.362 1.829 -13.490 1.00 0.00 O ATOM 0 H TYR A 54 -3.970 -2.223 -9.696 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.932 -0.858 -12.011 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.757 0.966 -10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.703 -0.109 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.107 1.419 -12.698 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.618 -0.124 -9.759 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.190 2.148 -14.094 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.536 0.603 -11.154 1.00 0.00 H new ATOM 0 HH TYR A 54 3.201 1.595 -13.041 1.00 0.00 H new ATOM 586 N ALA A 55 -0.937 -2.406 -9.951 1.00 0.00 N ATOM 587 CA ALA A 55 -0.017 -3.580 -9.896 1.00 0.00 C ATOM 588 C ALA A 55 -0.472 -4.553 -8.807 1.00 0.00 C ATOM 589 O ALA A 55 -1.115 -4.159 -7.854 1.00 0.00 O ATOM 590 CB ALA A 55 1.357 -2.998 -9.551 1.00 0.00 C ATOM 0 H ALA A 55 -0.848 -1.748 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 55 0.000 -4.133 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.089 -3.803 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.657 -2.290 -10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.304 -2.485 -8.590 1.00 0.00 H new ATOM 596 N PRO A 56 -0.115 -5.797 -8.980 1.00 0.00 N ATOM 597 CA PRO A 56 -0.486 -6.838 -7.991 1.00 0.00 C ATOM 598 C PRO A 56 0.303 -6.632 -6.696 1.00 0.00 C ATOM 599 O PRO A 56 1.518 -6.647 -6.685 1.00 0.00 O ATOM 600 CB PRO A 56 -0.099 -8.144 -8.678 1.00 0.00 C ATOM 601 CG PRO A 56 0.958 -7.761 -9.662 1.00 0.00 C ATOM 602 CD PRO A 56 0.658 -6.350 -10.098 1.00 0.00 C ATOM 0 HA PRO A 56 -1.539 -6.818 -7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.276 -8.873 -7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.956 -8.598 -9.175 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.948 -7.823 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.954 -8.438 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.572 -5.782 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.088 -6.331 -11.027 1.00 0.00 H new ATOM 610 N LYS A 57 -0.384 -6.426 -5.609 1.00 0.00 N ATOM 611 CA LYS A 57 0.310 -6.201 -4.310 1.00 0.00 C ATOM 612 C LYS A 57 1.478 -7.174 -4.129 1.00 0.00 C ATOM 613 O LYS A 57 2.411 -6.896 -3.408 1.00 0.00 O ATOM 614 CB LYS A 57 -0.759 -6.449 -3.244 1.00 0.00 C ATOM 615 CG LYS A 57 -1.311 -7.868 -3.394 1.00 0.00 C ATOM 616 CD LYS A 57 -2.797 -7.804 -3.754 1.00 0.00 C ATOM 617 CE LYS A 57 -3.593 -8.708 -2.809 1.00 0.00 C ATOM 618 NZ LYS A 57 -2.928 -10.038 -2.894 1.00 0.00 N ATOM 0 H LYS A 57 -1.403 -6.403 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 57 0.734 -5.199 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.333 -6.316 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.564 -5.722 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.761 -8.403 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.175 -8.422 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.156 -6.777 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.945 -8.120 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.577 -8.324 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.639 -8.770 -3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.614 -10.784 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.570 -10.186 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.136 -10.074 -2.221 1.00 0.00 H new ATOM 632 N LYS A 58 1.438 -8.317 -4.761 1.00 0.00 N ATOM 633 CA LYS A 58 2.554 -9.294 -4.589 1.00 0.00 C ATOM 634 C LYS A 58 3.775 -8.898 -5.432 1.00 0.00 C ATOM 635 O LYS A 58 4.899 -9.210 -5.094 1.00 0.00 O ATOM 636 CB LYS A 58 1.988 -10.635 -5.054 1.00 0.00 C ATOM 637 CG LYS A 58 2.335 -11.715 -4.024 1.00 0.00 C ATOM 638 CD LYS A 58 2.003 -13.095 -4.593 1.00 0.00 C ATOM 639 CE LYS A 58 2.831 -14.162 -3.871 1.00 0.00 C ATOM 640 NZ LYS A 58 3.946 -14.480 -4.805 1.00 0.00 N ATOM 0 H LYS A 58 0.688 -8.615 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 58 2.898 -9.331 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.907 -10.565 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.400 -10.899 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.393 -11.661 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.776 -11.546 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.940 -13.303 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.214 -13.119 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.208 -13.791 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.232 -15.047 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.559 -15.205 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.557 -14.837 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.502 -13.620 -4.987 1.00 0.00 H new ATOM 654 N GLU A 59 3.577 -8.207 -6.518 1.00 0.00 N ATOM 655 CA GLU A 59 4.746 -7.805 -7.355 1.00 0.00 C ATOM 656 C GLU A 59 5.442 -6.608 -6.728 1.00 0.00 C ATOM 657 O GLU A 59 6.635 -6.622 -6.497 1.00 0.00 O ATOM 658 CB GLU A 59 4.164 -7.440 -8.722 1.00 0.00 C ATOM 659 CG GLU A 59 5.257 -6.828 -9.603 1.00 0.00 C ATOM 660 CD GLU A 59 5.941 -7.934 -10.408 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.699 -9.093 -10.111 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.694 -7.605 -11.310 1.00 0.00 O ATOM 0 H GLU A 59 2.666 -7.904 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 59 5.487 -8.600 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.752 -8.328 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.343 -6.733 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.825 -6.088 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.989 -6.308 -8.985 1.00 0.00 H new ATOM 669 N LEU A 60 4.712 -5.573 -6.437 1.00 0.00 N ATOM 670 CA LEU A 60 5.350 -4.392 -5.814 1.00 0.00 C ATOM 671 C LEU A 60 6.091 -4.845 -4.549 1.00 0.00 C ATOM 672 O LEU A 60 7.290 -4.690 -4.432 1.00 0.00 O ATOM 673 CB LEU A 60 4.185 -3.428 -5.519 1.00 0.00 C ATOM 674 CG LEU A 60 4.191 -2.930 -4.067 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.533 -2.256 -3.737 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.057 -1.917 -3.906 1.00 0.00 C ATOM 0 H LEU A 60 3.709 -5.495 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 60 6.093 -3.899 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.244 -2.574 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.240 -3.931 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 60 4.053 -3.772 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.521 -1.908 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.343 -2.974 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.688 -1.408 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.041 -1.548 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.215 -1.082 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.105 -2.397 -4.134 1.00 0.00 H new ATOM 688 N ILE A 61 5.386 -5.407 -3.603 1.00 0.00 N ATOM 689 CA ILE A 61 6.051 -5.869 -2.352 1.00 0.00 C ATOM 690 C ILE A 61 7.279 -6.686 -2.701 1.00 0.00 C ATOM 691 O ILE A 61 8.242 -6.733 -1.960 1.00 0.00 O ATOM 692 CB ILE A 61 5.022 -6.741 -1.666 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.629 -7.872 -2.620 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.808 -5.882 -1.321 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.669 -8.996 -2.523 1.00 0.00 C ATOM 0 H ILE A 61 4.379 -5.566 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 61 6.375 -5.043 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 61 5.423 -7.172 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.640 -8.252 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.573 -7.499 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.056 -6.497 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.112 -5.073 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.388 -5.462 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.395 -9.805 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.650 -8.609 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.702 -9.374 -1.501 1.00 0.00 H new ATOM 707 N ASN A 62 7.266 -7.318 -3.840 1.00 0.00 N ATOM 708 CA ASN A 62 8.450 -8.112 -4.245 1.00 0.00 C ATOM 709 C ASN A 62 9.696 -7.233 -4.164 1.00 0.00 C ATOM 710 O ASN A 62 10.809 -7.717 -4.232 1.00 0.00 O ATOM 711 CB ASN A 62 8.182 -8.536 -5.689 1.00 0.00 C ATOM 712 CG ASN A 62 8.967 -9.814 -6.001 1.00 0.00 C ATOM 713 OD1 ASN A 62 10.039 -10.027 -5.467 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.477 -10.678 -6.847 1.00 0.00 N ATOM 0 H ASN A 62 6.490 -7.318 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 62 8.614 -8.978 -3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.116 -8.706 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.476 -7.740 -6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.993 -11.532 -7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.578 -10.500 -7.295 1.00 0.00 H new ATOM 721 N ILE A 63 9.532 -5.937 -4.017 1.00 0.00 N ATOM 722 CA ILE A 63 10.738 -5.064 -3.931 1.00 0.00 C ATOM 723 C ILE A 63 11.754 -5.684 -2.975 1.00 0.00 C ATOM 724 O ILE A 63 12.717 -6.306 -3.379 1.00 0.00 O ATOM 725 CB ILE A 63 10.218 -3.709 -3.422 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.924 -2.818 -4.625 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.266 -3.014 -2.542 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.615 -2.064 -4.397 1.00 0.00 C ATOM 0 H ILE A 63 8.633 -5.459 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 63 11.249 -4.947 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 63 9.319 -3.878 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.741 -2.112 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.854 -3.422 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.874 -2.058 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.496 -3.645 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.173 -2.845 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.407 -1.428 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.802 -2.778 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.701 -1.447 -3.502 1.00 0.00 H new ATOM 740 N LYS A 64 11.538 -5.516 -1.714 1.00 0.00 N ATOM 741 CA LYS A 64 12.475 -6.088 -0.707 1.00 0.00 C ATOM 742 C LYS A 64 12.224 -7.589 -0.552 1.00 0.00 C ATOM 743 O LYS A 64 13.107 -8.343 -0.191 1.00 0.00 O ATOM 744 CB LYS A 64 12.161 -5.349 0.594 1.00 0.00 C ATOM 745 CG LYS A 64 13.456 -4.786 1.185 1.00 0.00 C ATOM 746 CD LYS A 64 13.979 -3.657 0.293 1.00 0.00 C ATOM 747 CE LYS A 64 15.261 -4.111 -0.408 1.00 0.00 C ATOM 748 NZ LYS A 64 15.958 -2.851 -0.791 1.00 0.00 N ATOM 0 H LYS A 64 10.747 -5.003 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 64 13.519 -5.969 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.454 -4.542 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.688 -6.027 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.275 -4.413 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.204 -5.575 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.225 -3.384 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.175 -2.768 0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.879 -4.718 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.037 -4.720 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.848 -3.081 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.349 -2.297 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.164 -2.295 0.063 1.00 0.00 H new ATOM 762 N GLY A 65 11.027 -8.032 -0.829 1.00 0.00 N ATOM 763 CA GLY A 65 10.723 -9.485 -0.705 1.00 0.00 C ATOM 764 C GLY A 65 9.523 -9.693 0.220 1.00 0.00 C ATOM 765 O GLY A 65 9.428 -10.689 0.910 1.00 0.00 O ATOM 0 H GLY A 65 10.247 -7.450 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.512 -9.906 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.591 -10.014 -0.312 1.00 0.00 H new ATOM 769 N ILE A 66 8.602 -8.765 0.248 1.00 0.00 N ATOM 770 CA ILE A 66 7.418 -8.927 1.137 1.00 0.00 C ATOM 771 C ILE A 66 6.246 -9.541 0.364 1.00 0.00 C ATOM 772 O ILE A 66 6.415 -10.383 -0.496 1.00 0.00 O ATOM 773 CB ILE A 66 7.026 -7.517 1.612 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.187 -6.526 1.487 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.608 -7.597 3.075 1.00 0.00 C ATOM 776 CD1 ILE A 66 7.820 -5.231 2.214 1.00 0.00 C ATOM 0 H ILE A 66 8.620 -7.907 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 66 7.655 -9.585 1.973 1.00 0.00 H new ATOM 0 HB ILE A 66 6.210 -7.161 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.094 -6.953 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.396 -6.322 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.327 -6.605 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.758 -8.272 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.440 -7.972 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.642 -4.521 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.923 -4.803 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.633 -5.445 3.266 1.00 0.00 H new ATOM 788 N SER A 67 5.058 -9.107 0.679 1.00 0.00 N ATOM 789 CA SER A 67 3.837 -9.614 0.001 1.00 0.00 C ATOM 790 C SER A 67 2.649 -8.881 0.606 1.00 0.00 C ATOM 791 O SER A 67 2.746 -7.717 0.954 1.00 0.00 O ATOM 792 CB SER A 67 3.781 -11.105 0.327 1.00 0.00 C ATOM 793 OG SER A 67 3.254 -11.277 1.636 1.00 0.00 O ATOM 0 H SER A 67 4.880 -8.404 1.397 1.00 0.00 H new ATOM 0 HA SER A 67 3.833 -9.459 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.158 -11.625 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.778 -11.541 0.263 1.00 0.00 H new ATOM 0 HG SER A 67 3.214 -12.233 1.850 1.00 0.00 H new ATOM 799 N GLU A 68 1.545 -9.539 0.790 1.00 0.00 N ATOM 800 CA GLU A 68 0.405 -8.840 1.431 1.00 0.00 C ATOM 801 C GLU A 68 0.874 -8.327 2.796 1.00 0.00 C ATOM 802 O GLU A 68 0.260 -7.472 3.401 1.00 0.00 O ATOM 803 CB GLU A 68 -0.687 -9.901 1.579 1.00 0.00 C ATOM 804 CG GLU A 68 -1.610 -9.846 0.360 1.00 0.00 C ATOM 805 CD GLU A 68 -2.994 -10.377 0.736 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.581 -9.842 1.661 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.444 -11.311 0.091 1.00 0.00 O ATOM 0 H GLU A 68 1.383 -10.512 0.530 1.00 0.00 H new ATOM 0 HA GLU A 68 0.034 -7.988 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.239 -10.891 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.258 -9.727 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.689 -8.821 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.191 -10.439 -0.453 1.00 0.00 H new ATOM 814 N ALA A 69 1.976 -8.856 3.279 1.00 0.00 N ATOM 815 CA ALA A 69 2.514 -8.425 4.598 1.00 0.00 C ATOM 816 C ALA A 69 2.360 -6.917 4.791 1.00 0.00 C ATOM 817 O ALA A 69 1.459 -6.454 5.466 1.00 0.00 O ATOM 818 CB ALA A 69 3.995 -8.799 4.553 1.00 0.00 C ATOM 0 H ALA A 69 2.526 -9.574 2.806 1.00 0.00 H new ATOM 0 HA ALA A 69 1.984 -8.899 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.471 -8.515 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.094 -9.875 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.478 -8.275 3.728 1.00 0.00 H new ATOM 824 N LYS A 70 3.235 -6.148 4.210 1.00 0.00 N ATOM 825 CA LYS A 70 3.151 -4.677 4.366 1.00 0.00 C ATOM 826 C LYS A 70 2.171 -4.087 3.352 1.00 0.00 C ATOM 827 O LYS A 70 1.421 -3.183 3.659 1.00 0.00 O ATOM 828 CB LYS A 70 4.576 -4.199 4.110 1.00 0.00 C ATOM 829 CG LYS A 70 5.533 -5.046 4.955 1.00 0.00 C ATOM 830 CD LYS A 70 5.281 -4.758 6.435 1.00 0.00 C ATOM 831 CE LYS A 70 5.938 -5.844 7.291 1.00 0.00 C ATOM 832 NZ LYS A 70 4.816 -6.459 8.054 1.00 0.00 N ATOM 0 H LYS A 70 4.007 -6.479 3.632 1.00 0.00 H new ATOM 0 HA LYS A 70 2.785 -4.370 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.822 -4.291 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.674 -3.145 4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.382 -6.105 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.567 -4.815 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.684 -3.780 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.209 -4.725 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.446 -6.583 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.686 -5.421 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.134 -7.354 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.510 -5.809 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.020 -6.645 7.411 1.00 0.00 H new ATOM 846 N ALA A 71 2.154 -4.588 2.149 1.00 0.00 N ATOM 847 CA ALA A 71 1.195 -4.033 1.152 1.00 0.00 C ATOM 848 C ALA A 71 -0.204 -3.970 1.761 1.00 0.00 C ATOM 849 O ALA A 71 -0.817 -2.923 1.832 1.00 0.00 O ATOM 850 CB ALA A 71 1.212 -5.009 -0.019 1.00 0.00 C ATOM 0 H ALA A 71 2.751 -5.345 1.816 1.00 0.00 H new ATOM 0 HA ALA A 71 1.467 -3.024 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.527 -4.662 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.220 -5.069 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.901 -5.995 0.325 1.00 0.00 H new ATOM 856 N ASP A 72 -0.713 -5.083 2.205 1.00 0.00 N ATOM 857 CA ASP A 72 -2.071 -5.087 2.813 1.00 0.00 C ATOM 858 C ASP A 72 -2.091 -4.175 4.040 1.00 0.00 C ATOM 859 O ASP A 72 -3.028 -3.434 4.259 1.00 0.00 O ATOM 860 CB ASP A 72 -2.327 -6.540 3.221 1.00 0.00 C ATOM 861 CG ASP A 72 -3.765 -6.682 3.725 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.670 -6.567 2.914 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.937 -6.904 4.912 1.00 0.00 O ATOM 0 H ASP A 72 -0.248 -5.990 2.173 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.834 -4.722 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.161 -7.202 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.626 -6.839 4.000 1.00 0.00 H new ATOM 868 N LYS A 73 -1.062 -4.220 4.842 1.00 0.00 N ATOM 869 CA LYS A 73 -1.029 -3.350 6.051 1.00 0.00 C ATOM 870 C LYS A 73 -1.441 -1.922 5.684 1.00 0.00 C ATOM 871 O LYS A 73 -2.005 -1.206 6.487 1.00 0.00 O ATOM 872 CB LYS A 73 0.423 -3.386 6.531 1.00 0.00 C ATOM 873 CG LYS A 73 0.610 -2.377 7.668 1.00 0.00 C ATOM 874 CD LYS A 73 -0.519 -2.541 8.687 1.00 0.00 C ATOM 875 CE LYS A 73 0.046 -2.409 10.104 1.00 0.00 C ATOM 876 NZ LYS A 73 -0.670 -3.445 10.899 1.00 0.00 N ATOM 0 H LYS A 73 -0.246 -4.819 4.713 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.718 -3.691 6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.679 -4.388 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.096 -3.150 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.575 -2.532 8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.611 -1.362 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.287 -1.786 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.996 -3.513 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.123 -2.575 10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.127 -1.411 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.337 -3.418 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.693 -3.257 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.481 -4.385 10.495 1.00 0.00 H new ATOM 890 N ILE A 74 -1.168 -1.499 4.478 1.00 0.00 N ATOM 891 CA ILE A 74 -1.554 -0.114 4.076 1.00 0.00 C ATOM 892 C ILE A 74 -2.999 -0.098 3.573 1.00 0.00 C ATOM 893 O ILE A 74 -3.816 0.679 4.028 1.00 0.00 O ATOM 894 CB ILE A 74 -0.573 0.265 2.963 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.720 0.773 3.598 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.169 1.369 2.082 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.860 0.668 2.589 1.00 0.00 C ATOM 0 H ILE A 74 -0.698 -2.048 3.758 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.506 0.592 4.905 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.374 -0.611 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.598 1.808 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.954 0.189 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.461 1.629 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.097 1.015 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.374 2.250 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.782 1.031 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.987 -0.373 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.626 1.271 1.712 1.00 0.00 H new ATOM 909 N LEU A 75 -3.326 -0.951 2.645 1.00 0.00 N ATOM 910 CA LEU A 75 -4.722 -0.980 2.127 1.00 0.00 C ATOM 911 C LEU A 75 -5.692 -1.221 3.284 1.00 0.00 C ATOM 912 O LEU A 75 -6.867 -0.923 3.197 1.00 0.00 O ATOM 913 CB LEU A 75 -4.758 -2.146 1.139 1.00 0.00 C ATOM 914 CG LEU A 75 -4.675 -1.602 -0.287 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.341 -0.881 -0.481 1.00 0.00 C ATOM 916 CD2 LEU A 75 -4.778 -2.762 -1.280 1.00 0.00 C ATOM 0 H LEU A 75 -2.690 -1.628 2.223 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.012 -0.044 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.928 -2.826 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.676 -2.720 1.269 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.493 -0.902 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.282 -0.493 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.267 -0.056 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.522 -1.580 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.719 -2.376 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.959 -3.461 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.729 -3.276 -1.141 1.00 0.00 H new ATOM 928 N ALA A 76 -5.202 -1.751 4.370 1.00 0.00 N ATOM 929 CA ALA A 76 -6.086 -2.004 5.541 1.00 0.00 C ATOM 930 C ALA A 76 -6.150 -0.755 6.421 1.00 0.00 C ATOM 931 O ALA A 76 -7.214 -0.271 6.756 1.00 0.00 O ATOM 932 CB ALA A 76 -5.426 -3.160 6.293 1.00 0.00 C ATOM 0 H ALA A 76 -4.226 -2.020 4.497 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.108 -2.244 5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.019 -3.408 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.364 -4.031 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.423 -2.867 6.603 1.00 0.00 H new ATOM 938 N GLU A 77 -5.016 -0.226 6.794 1.00 0.00 N ATOM 939 CA GLU A 77 -5.006 0.996 7.648 1.00 0.00 C ATOM 940 C GLU A 77 -5.515 2.199 6.849 1.00 0.00 C ATOM 941 O GLU A 77 -6.076 3.125 7.397 1.00 0.00 O ATOM 942 CB GLU A 77 -3.540 1.195 8.040 1.00 0.00 C ATOM 943 CG GLU A 77 -3.247 0.425 9.329 1.00 0.00 C ATOM 944 CD GLU A 77 -2.804 1.401 10.421 1.00 0.00 C ATOM 945 OE1 GLU A 77 -3.408 2.456 10.524 1.00 0.00 O ATOM 946 OE2 GLU A 77 -1.869 1.078 11.134 1.00 0.00 O ATOM 0 H GLU A 77 -4.096 -0.588 6.544 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.650 0.896 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.888 0.846 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.331 2.255 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.136 -0.117 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.468 -0.317 9.152 1.00 0.00 H new ATOM 953 N ALA A 78 -5.328 2.190 5.558 1.00 0.00 N ATOM 954 CA ALA A 78 -5.805 3.333 4.729 1.00 0.00 C ATOM 955 C ALA A 78 -7.306 3.196 4.462 1.00 0.00 C ATOM 956 O ALA A 78 -8.024 4.172 4.376 1.00 0.00 O ATOM 957 CB ALA A 78 -5.015 3.237 3.423 1.00 0.00 C ATOM 0 H ALA A 78 -4.866 1.442 5.042 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.655 4.293 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.312 4.048 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.949 3.314 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.221 2.280 2.943 1.00 0.00 H new ATOM 963 N ALA A 79 -7.785 1.989 4.331 1.00 0.00 N ATOM 964 CA ALA A 79 -9.239 1.786 4.071 1.00 0.00 C ATOM 965 C ALA A 79 -10.047 2.032 5.349 1.00 0.00 C ATOM 966 O ALA A 79 -11.247 2.211 5.309 1.00 0.00 O ATOM 967 CB ALA A 79 -9.362 0.325 3.634 1.00 0.00 C ATOM 0 H ALA A 79 -7.232 1.134 4.393 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.622 2.473 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.406 0.095 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.766 0.162 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.001 -0.325 4.431 1.00 0.00 H new ATOM 973 N LYS A 80 -9.401 2.033 6.484 1.00 0.00 N ATOM 974 CA LYS A 80 -10.143 2.255 7.759 1.00 0.00 C ATOM 975 C LYS A 80 -9.678 3.545 8.446 1.00 0.00 C ATOM 976 O LYS A 80 -10.197 3.927 9.475 1.00 0.00 O ATOM 977 CB LYS A 80 -9.815 1.038 8.623 1.00 0.00 C ATOM 978 CG LYS A 80 -8.389 1.157 9.163 1.00 0.00 C ATOM 979 CD LYS A 80 -8.043 -0.099 9.965 1.00 0.00 C ATOM 980 CE LYS A 80 -7.314 0.299 11.250 1.00 0.00 C ATOM 981 NZ LYS A 80 -8.340 0.189 12.325 1.00 0.00 N ATOM 0 H LYS A 80 -8.396 1.890 6.584 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.214 2.365 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.522 0.966 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.917 0.125 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.686 1.281 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.300 2.041 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.952 -0.651 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.416 -0.762 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.467 -0.360 11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.920 1.313 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.915 0.447 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.131 0.832 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.692 -0.789 12.370 1.00 0.00 H new ATOM 995 N LEU A 81 -8.708 4.220 7.891 1.00 0.00 N ATOM 996 CA LEU A 81 -8.225 5.482 8.527 1.00 0.00 C ATOM 997 C LEU A 81 -8.334 6.653 7.545 1.00 0.00 C ATOM 998 O LEU A 81 -8.732 7.741 7.908 1.00 0.00 O ATOM 999 CB LEU A 81 -6.763 5.215 8.888 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.375 6.056 10.107 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -4.986 5.640 10.598 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.353 7.538 9.722 1.00 0.00 C ATOM 0 H LEU A 81 -8.231 3.955 7.029 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.816 5.751 9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.618 4.156 9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.118 5.460 8.044 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.105 5.896 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.712 6.240 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.999 4.586 10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.257 5.797 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.077 8.136 10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.625 7.696 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.342 7.838 9.375 1.00 0.00 H new ATOM 1014 N VAL A 82 -7.988 6.440 6.304 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.079 7.546 5.306 1.00 0.00 C ATOM 1016 C VAL A 82 -8.941 7.117 4.116 1.00 0.00 C ATOM 1017 O VAL A 82 -8.539 7.250 2.978 1.00 0.00 O ATOM 1018 CB VAL A 82 -6.641 7.802 4.857 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.171 6.650 3.969 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.581 9.110 4.066 1.00 0.00 C ATOM 0 H VAL A 82 -7.647 5.551 5.938 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.539 8.440 5.728 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.995 7.874 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.145 6.833 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.215 5.717 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.817 6.578 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.556 9.294 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.228 9.036 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.917 9.933 4.697 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.102 6.613 4.427 1.00 0.00 N ATOM 1031 CA PRO A 83 -11.039 6.153 3.373 1.00 0.00 C ATOM 1032 C PRO A 83 -11.657 7.354 2.651 1.00 0.00 C ATOM 1033 O PRO A 83 -11.234 8.480 2.826 1.00 0.00 O ATOM 1034 CB PRO A 83 -12.095 5.373 4.150 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.054 5.937 5.536 1.00 0.00 C ATOM 1036 CD PRO A 83 -10.648 6.424 5.774 1.00 0.00 C ATOM 0 HA PRO A 83 -10.560 5.551 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.082 5.494 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.875 4.305 4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.768 6.754 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.328 5.178 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.639 7.354 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.066 5.698 6.342 1.00 0.00 H new ATOM 1044 N MET A 84 -12.651 7.124 1.839 1.00 0.00 N ATOM 1045 CA MET A 84 -13.289 8.255 1.105 1.00 0.00 C ATOM 1046 C MET A 84 -14.391 8.893 1.957 1.00 0.00 C ATOM 1047 O MET A 84 -14.259 10.006 2.425 1.00 0.00 O ATOM 1048 CB MET A 84 -13.882 7.625 -0.155 1.00 0.00 C ATOM 1049 CG MET A 84 -14.697 8.672 -0.916 1.00 0.00 C ATOM 1050 SD MET A 84 -14.896 8.147 -2.637 1.00 0.00 S ATOM 1051 CE MET A 84 -16.098 9.409 -3.122 1.00 0.00 C ATOM 0 H MET A 84 -13.049 6.204 1.651 1.00 0.00 H new ATOM 0 HA MET A 84 -12.576 9.046 0.870 1.00 0.00 H new ATOM 0 HB2 MET A 84 -13.085 7.238 -0.790 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.516 6.780 0.112 1.00 0.00 H new ATOM 0 HG2 MET A 84 -15.673 8.799 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 84 -14.196 9.639 -0.875 1.00 0.00 H new ATOM 0 HE1 MET A 84 -16.367 9.272 -4.169 1.00 0.00 H new ATOM 0 HE2 MET A 84 -16.991 9.318 -2.503 1.00 0.00 H new ATOM 0 HE3 MET A 84 -15.661 10.399 -2.986 1.00 0.00 H new ATOM 1061 N GLY A 85 -15.476 8.198 2.159 1.00 0.00 N ATOM 1062 CA GLY A 85 -16.584 8.768 2.979 1.00 0.00 C ATOM 1063 C GLY A 85 -16.964 7.781 4.086 1.00 0.00 C ATOM 1064 O GLY A 85 -17.877 8.086 4.836 1.00 0.00 O ATOM 0 H GLY A 85 -15.644 7.261 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.276 9.718 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.449 8.973 2.348 1.00 0.00 H new TER 1068 GLY A 85