USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 101 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 ASN : amide:sc= 0.0574 X(o=-2.6,f=-2.7) USER MOD Set 2.2: A 76 GLN :FLIP amide:sc= -2.65! C(o=-4.4!,f=-2.6!) USER MOD Set 3.1: A 51 THR OG1 : rot 85:sc= 1.22 USER MOD Set 3.2: A 52 HIS : no HD1:sc= 0.52 K(o=1.7,f=-9.1!) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00401 USER MOD Single : A 6 SER OG : rot 180:sc= -0.028 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.7) USER MOD Single : A 16 CYS SG : rot 68:sc= 1.26 USER MOD Single : A 19 SER OG : rot -160:sc= -0.46 USER MOD Single : A 24 SER OG : rot -133:sc= 0.808 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.01) USER MOD Single : A 30 SER OG : rot -59:sc= 0.943 USER MOD Single : A 31 MET CE :methyl -157:sc= -0.377 (180deg=-0.911) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00616 USER MOD Single : A 37 MET CE :methyl 146:sc= -0.0989 (180deg=-0.445) USER MOD Single : A 38 GLN : amide:sc= -1.92 X(o=-1.9,f=-2.2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0.106 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -170:sc= -0.984 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0136 (180deg=-0.164) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 172:sc= 0.279 USER MOD Single : A 84 GLN : amide:sc= -0.442 K(o=-0.44,f=-3.6!) USER MOD Single : A 85 MET CE :methyl 176:sc= -7.95! (180deg=-8.03!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.727) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 107 SER OG : rot 29:sc= 0.142 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.879 33.694 -12.671 1.00 0.00 N ATOM 2 CA GLY A 1 -17.432 33.771 -12.601 1.00 0.00 C ATOM 3 C GLY A 1 -16.763 32.466 -12.986 1.00 0.00 C ATOM 4 O GLY A 1 -17.283 31.387 -12.703 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.207 34.125 -13.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.176 32.698 -12.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.293 34.204 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.081 34.564 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.134 34.044 -11.589 1.00 0.00 H new ATOM 8 N SER A 2 -15.607 32.564 -13.635 1.00 0.00 N ATOM 9 CA SER A 2 -14.868 31.382 -14.064 1.00 0.00 C ATOM 10 C SER A 2 -13.913 30.912 -12.971 1.00 0.00 C ATOM 11 O SER A 2 -13.763 31.566 -11.939 1.00 0.00 O ATOM 12 CB SER A 2 -14.088 31.680 -15.346 1.00 0.00 C ATOM 13 OG SER A 2 -14.910 31.527 -16.490 1.00 0.00 O ATOM 0 H SER A 2 -15.162 33.450 -13.875 1.00 0.00 H new ATOM 0 HA SER A 2 -15.586 30.586 -14.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.696 32.696 -15.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.231 31.010 -15.418 1.00 0.00 H new ATOM 0 HG SER A 2 -14.389 31.725 -17.296 1.00 0.00 H new ATOM 19 N SER A 3 -13.269 29.773 -13.207 1.00 0.00 N ATOM 20 CA SER A 3 -12.331 29.212 -12.242 1.00 0.00 C ATOM 21 C SER A 3 -10.976 28.950 -12.892 1.00 0.00 C ATOM 22 O SER A 3 -10.898 28.534 -14.047 1.00 0.00 O ATOM 23 CB SER A 3 -12.887 27.913 -11.654 1.00 0.00 C ATOM 24 OG SER A 3 -14.149 28.127 -11.048 1.00 0.00 O ATOM 0 H SER A 3 -13.380 29.221 -14.058 1.00 0.00 H new ATOM 0 HA SER A 3 -12.196 29.937 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.980 27.165 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.189 27.516 -10.917 1.00 0.00 H new ATOM 0 HG SER A 3 -14.483 27.282 -10.682 1.00 0.00 H new ATOM 30 N GLY A 4 -9.908 29.198 -12.139 1.00 0.00 N ATOM 31 CA GLY A 4 -8.569 28.984 -12.657 1.00 0.00 C ATOM 32 C GLY A 4 -8.066 27.577 -12.400 1.00 0.00 C ATOM 33 O GLY A 4 -8.846 26.625 -12.384 1.00 0.00 O ATOM 0 H GLY A 4 -9.946 29.543 -11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.562 29.179 -13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.887 29.700 -12.199 1.00 0.00 H new ATOM 37 N SER A 5 -6.758 27.445 -12.201 1.00 0.00 N ATOM 38 CA SER A 5 -6.151 26.143 -11.950 1.00 0.00 C ATOM 39 C SER A 5 -4.880 26.289 -11.118 1.00 0.00 C ATOM 40 O SER A 5 -4.116 27.238 -11.293 1.00 0.00 O ATOM 41 CB SER A 5 -5.832 25.442 -13.272 1.00 0.00 C ATOM 42 OG SER A 5 -7.016 25.162 -13.999 1.00 0.00 O ATOM 0 H SER A 5 -6.099 28.223 -12.209 1.00 0.00 H new ATOM 0 HA SER A 5 -6.864 25.538 -11.390 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.174 26.071 -13.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.294 24.514 -13.075 1.00 0.00 H new ATOM 0 HG SER A 5 -6.785 24.716 -14.840 1.00 0.00 H new ATOM 48 N SER A 6 -4.661 25.340 -10.213 1.00 0.00 N ATOM 49 CA SER A 6 -3.486 25.363 -9.351 1.00 0.00 C ATOM 50 C SER A 6 -2.825 23.989 -9.297 1.00 0.00 C ATOM 51 O SER A 6 -3.324 23.024 -9.875 1.00 0.00 O ATOM 52 CB SER A 6 -3.870 25.812 -7.940 1.00 0.00 C ATOM 53 OG SER A 6 -2.725 26.183 -7.193 1.00 0.00 O ATOM 0 H SER A 6 -5.282 24.546 -10.058 1.00 0.00 H new ATOM 0 HA SER A 6 -2.774 26.074 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.559 26.655 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.396 25.005 -7.429 1.00 0.00 H new ATOM 0 HG SER A 6 -2.998 26.468 -6.296 1.00 0.00 H new ATOM 59 N GLY A 7 -1.696 23.908 -8.598 1.00 0.00 N ATOM 60 CA GLY A 7 -0.984 22.649 -8.481 1.00 0.00 C ATOM 61 C GLY A 7 -1.365 21.882 -7.230 1.00 0.00 C ATOM 62 O GLY A 7 -0.584 21.801 -6.281 1.00 0.00 O ATOM 0 H GLY A 7 -1.262 24.692 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.191 22.035 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.089 22.841 -8.473 1.00 0.00 H new ATOM 66 N PHE A 8 -2.568 21.319 -7.227 1.00 0.00 N ATOM 67 CA PHE A 8 -3.052 20.557 -6.081 1.00 0.00 C ATOM 68 C PHE A 8 -2.181 19.327 -5.839 1.00 0.00 C ATOM 69 O PHE A 8 -1.466 18.872 -6.732 1.00 0.00 O ATOM 70 CB PHE A 8 -4.505 20.131 -6.303 1.00 0.00 C ATOM 71 CG PHE A 8 -4.742 19.478 -7.635 1.00 0.00 C ATOM 72 CD1 PHE A 8 -4.585 18.110 -7.789 1.00 0.00 C ATOM 73 CD2 PHE A 8 -5.123 20.233 -8.732 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.802 17.508 -9.014 1.00 0.00 C ATOM 75 CE2 PHE A 8 -5.342 19.636 -9.960 1.00 0.00 C ATOM 76 CZ PHE A 8 -5.182 18.272 -10.100 1.00 0.00 C ATOM 0 H PHE A 8 -3.226 21.376 -8.004 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.998 21.198 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.798 19.441 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.149 21.006 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.290 17.508 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.251 21.300 -8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.675 16.441 -9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.638 20.236 -10.808 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.354 17.803 -11.058 1.00 0.00 H new ATOM 86 N LYS A 9 -2.246 18.794 -4.624 1.00 0.00 N ATOM 87 CA LYS A 9 -1.465 17.618 -4.261 1.00 0.00 C ATOM 88 C LYS A 9 -2.217 16.337 -4.609 1.00 0.00 C ATOM 89 O LYS A 9 -3.405 16.371 -4.932 1.00 0.00 O ATOM 90 CB LYS A 9 -1.136 17.639 -2.767 1.00 0.00 C ATOM 91 CG LYS A 9 -0.045 18.630 -2.398 1.00 0.00 C ATOM 92 CD LYS A 9 0.529 18.339 -1.022 1.00 0.00 C ATOM 93 CE LYS A 9 1.656 17.320 -1.092 1.00 0.00 C ATOM 94 NZ LYS A 9 2.349 17.169 0.218 1.00 0.00 N ATOM 0 H LYS A 9 -2.832 19.158 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.536 17.640 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.040 17.882 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.828 16.640 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.751 18.590 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.449 19.642 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.900 19.263 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.260 17.966 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.255 16.356 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.376 17.626 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.110 16.466 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.754 18.083 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.667 16.852 0.937 1.00 0.00 H new ATOM 108 N VAL A 10 -1.519 15.208 -4.539 1.00 0.00 N ATOM 109 CA VAL A 10 -2.122 13.916 -4.843 1.00 0.00 C ATOM 110 C VAL A 10 -1.755 12.876 -3.790 1.00 0.00 C ATOM 111 O VAL A 10 -0.618 12.803 -3.324 1.00 0.00 O ATOM 112 CB VAL A 10 -1.683 13.405 -6.228 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.255 12.020 -6.492 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.107 14.381 -7.315 1.00 0.00 C ATOM 0 H VAL A 10 -0.535 15.162 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.202 14.063 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.596 13.332 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.934 11.675 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.897 11.327 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.344 12.064 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.789 14.004 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.192 14.488 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.645 15.351 -7.133 1.00 0.00 H new ATOM 124 N PRO A 11 -2.741 12.052 -3.405 1.00 0.00 N ATOM 125 CA PRO A 11 -2.546 11.000 -2.403 1.00 0.00 C ATOM 126 C PRO A 11 -1.665 9.866 -2.916 1.00 0.00 C ATOM 127 O PRO A 11 -1.540 9.641 -4.120 1.00 0.00 O ATOM 128 CB PRO A 11 -3.967 10.495 -2.138 1.00 0.00 C ATOM 129 CG PRO A 11 -4.719 10.811 -3.384 1.00 0.00 C ATOM 130 CD PRO A 11 -4.120 12.083 -3.919 1.00 0.00 C ATOM 0 HA PRO A 11 -2.038 11.374 -1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.975 9.425 -1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.408 10.990 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.629 10.002 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.782 10.937 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.142 12.111 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.661 12.961 -3.567 1.00 0.00 H new ATOM 138 N PRO A 12 -1.038 9.134 -1.984 1.00 0.00 N ATOM 139 CA PRO A 12 -0.159 8.010 -2.319 1.00 0.00 C ATOM 140 C PRO A 12 -0.928 6.818 -2.878 1.00 0.00 C ATOM 141 O PRO A 12 -0.333 5.841 -3.335 1.00 0.00 O ATOM 142 CB PRO A 12 0.483 7.649 -0.976 1.00 0.00 C ATOM 143 CG PRO A 12 -0.492 8.118 0.048 1.00 0.00 C ATOM 144 CD PRO A 12 -1.141 9.345 -0.530 1.00 0.00 C ATOM 0 HA PRO A 12 0.560 8.273 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.656 6.576 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.450 8.138 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.234 7.348 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.010 8.348 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.179 9.439 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.628 10.255 -0.219 1.00 0.00 H new ATOM 152 N PHE A 13 -2.253 6.905 -2.841 1.00 0.00 N ATOM 153 CA PHE A 13 -3.104 5.833 -3.344 1.00 0.00 C ATOM 154 C PHE A 13 -4.068 6.356 -4.405 1.00 0.00 C ATOM 155 O PHE A 13 -5.065 5.710 -4.725 1.00 0.00 O ATOM 156 CB PHE A 13 -3.889 5.195 -2.197 1.00 0.00 C ATOM 157 CG PHE A 13 -3.015 4.619 -1.120 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.854 3.935 -1.443 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.354 4.760 0.216 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.047 3.405 -0.455 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.551 4.232 1.209 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.396 3.552 0.873 1.00 0.00 C ATOM 0 H PHE A 13 -2.761 7.707 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.463 5.079 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.548 5.944 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.526 4.406 -2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.577 3.815 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.257 5.289 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.144 2.876 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.826 4.351 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.768 3.137 1.647 1.00 0.00 H new ATOM 172 N GLN A 14 -3.762 7.532 -4.946 1.00 0.00 N ATOM 173 CA GLN A 14 -4.602 8.143 -5.970 1.00 0.00 C ATOM 174 C GLN A 14 -5.072 7.102 -6.981 1.00 0.00 C ATOM 175 O GLN A 14 -4.266 6.517 -7.704 1.00 0.00 O ATOM 176 CB GLN A 14 -3.839 9.258 -6.685 1.00 0.00 C ATOM 177 CG GLN A 14 -4.640 9.934 -7.787 1.00 0.00 C ATOM 178 CD GLN A 14 -3.760 10.540 -8.861 1.00 0.00 C ATOM 179 OE1 GLN A 14 -3.835 11.737 -9.139 1.00 0.00 O ATOM 180 NE2 GLN A 14 -2.918 9.715 -9.473 1.00 0.00 N ATOM 0 H GLN A 14 -2.940 8.080 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.478 8.568 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.538 10.008 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.925 8.845 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.312 9.206 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.264 10.714 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.889 8.730 -9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.301 10.067 -10.205 1.00 0.00 H new ATOM 189 N ASP A 15 -6.380 6.876 -7.025 1.00 0.00 N ATOM 190 CA ASP A 15 -6.958 5.906 -7.948 1.00 0.00 C ATOM 191 C ASP A 15 -6.217 4.575 -7.871 1.00 0.00 C ATOM 192 O ASP A 15 -5.936 3.949 -8.894 1.00 0.00 O ATOM 193 CB ASP A 15 -6.917 6.445 -9.379 1.00 0.00 C ATOM 194 CG ASP A 15 -8.081 7.366 -9.684 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.413 8.208 -8.823 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.661 7.246 -10.783 1.00 0.00 O ATOM 0 H ASP A 15 -7.061 7.351 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.996 5.741 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.982 6.982 -9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.925 5.610 -10.079 1.00 0.00 H new ATOM 201 N CYS A 16 -5.903 4.148 -6.653 1.00 0.00 N ATOM 202 CA CYS A 16 -5.192 2.891 -6.443 1.00 0.00 C ATOM 203 C CYS A 16 -5.894 2.039 -5.390 1.00 0.00 C ATOM 204 O CYS A 16 -6.111 2.484 -4.262 1.00 0.00 O ATOM 205 CB CYS A 16 -3.748 3.162 -6.017 1.00 0.00 C ATOM 206 SG CYS A 16 -2.765 4.036 -7.258 1.00 0.00 S ATOM 0 H CYS A 16 -6.129 4.653 -5.796 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.188 2.343 -7.385 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.755 3.747 -5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.264 2.213 -5.788 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.213 5.249 -7.391 1.00 0.00 H new ATOM 212 N ILE A 17 -6.247 0.815 -5.766 1.00 0.00 N ATOM 213 CA ILE A 17 -6.924 -0.098 -4.854 1.00 0.00 C ATOM 214 C ILE A 17 -5.954 -1.128 -4.285 1.00 0.00 C ATOM 215 O ILE A 17 -5.032 -1.573 -4.970 1.00 0.00 O ATOM 216 CB ILE A 17 -8.084 -0.833 -5.552 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.999 0.168 -6.260 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.871 -1.658 -4.545 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.697 -0.405 -7.474 1.00 0.00 C ATOM 0 H ILE A 17 -6.075 0.433 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.324 0.508 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.668 -1.508 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.749 0.524 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.411 1.034 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.687 -2.171 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.212 -2.393 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.278 -1.002 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.329 0.360 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.953 -0.736 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.313 -1.253 -7.173 1.00 0.00 H new ATOM 231 N LEU A 18 -6.168 -1.503 -3.029 1.00 0.00 N ATOM 232 CA LEU A 18 -5.313 -2.483 -2.367 1.00 0.00 C ATOM 233 C LEU A 18 -6.131 -3.387 -1.450 1.00 0.00 C ATOM 234 O LEU A 18 -7.201 -3.004 -0.977 1.00 0.00 O ATOM 235 CB LEU A 18 -4.222 -1.775 -1.562 1.00 0.00 C ATOM 236 CG LEU A 18 -3.562 -0.572 -2.239 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.318 0.706 -1.910 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.105 -0.456 -1.817 1.00 0.00 C ATOM 0 H LEU A 18 -6.926 -1.144 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.847 -3.101 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.653 -1.444 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.446 -2.502 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.596 -0.722 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.834 1.551 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.346 0.622 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.316 0.862 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.651 0.405 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.048 -0.329 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.570 -1.361 -2.104 1.00 0.00 H new ATOM 250 N SER A 19 -5.618 -4.588 -1.202 1.00 0.00 N ATOM 251 CA SER A 19 -6.301 -5.548 -0.343 1.00 0.00 C ATOM 252 C SER A 19 -5.386 -6.014 0.786 1.00 0.00 C ATOM 253 O SER A 19 -4.186 -5.741 0.781 1.00 0.00 O ATOM 254 CB SER A 19 -6.773 -6.751 -1.161 1.00 0.00 C ATOM 255 OG SER A 19 -5.750 -7.211 -2.028 1.00 0.00 O ATOM 0 H SER A 19 -4.732 -4.919 -1.584 1.00 0.00 H new ATOM 0 HA SER A 19 -7.168 -5.053 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.074 -7.555 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.652 -6.476 -1.744 1.00 0.00 H new ATOM 0 HG SER A 19 -6.146 -7.747 -2.746 1.00 0.00 H new ATOM 261 N PHE A 20 -5.963 -6.718 1.754 1.00 0.00 N ATOM 262 CA PHE A 20 -5.202 -7.221 2.891 1.00 0.00 C ATOM 263 C PHE A 20 -5.594 -8.660 3.215 1.00 0.00 C ATOM 264 O PHE A 20 -6.777 -8.978 3.348 1.00 0.00 O ATOM 265 CB PHE A 20 -5.426 -6.332 4.116 1.00 0.00 C ATOM 266 CG PHE A 20 -5.344 -4.863 3.814 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.212 -4.327 3.221 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.398 -4.019 4.123 1.00 0.00 C ATOM 269 CE1 PHE A 20 -4.134 -2.975 2.940 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.325 -2.667 3.845 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.191 -2.144 3.254 1.00 0.00 C ATOM 0 H PHE A 20 -6.955 -6.953 1.774 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.145 -7.202 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.405 -6.553 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.685 -6.580 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.381 -4.972 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.287 -4.422 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.247 -2.570 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.154 -2.020 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.131 -1.087 3.038 1.00 0.00 H new ATOM 281 N LEU A 21 -4.594 -9.526 3.340 1.00 0.00 N ATOM 282 CA LEU A 21 -4.833 -10.932 3.647 1.00 0.00 C ATOM 283 C LEU A 21 -3.920 -11.406 4.773 1.00 0.00 C ATOM 284 O LEU A 21 -2.697 -11.309 4.676 1.00 0.00 O ATOM 285 CB LEU A 21 -4.614 -11.791 2.401 1.00 0.00 C ATOM 286 CG LEU A 21 -4.455 -13.293 2.640 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.797 -13.924 2.977 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.838 -13.965 1.422 1.00 0.00 C ATOM 0 H LEU A 21 -3.610 -9.279 3.233 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.867 -11.036 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.456 -11.638 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.724 -11.429 1.887 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.785 -13.438 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.665 -14.993 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.200 -13.463 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.490 -13.769 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.732 -15.033 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.482 -13.811 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.857 -13.533 1.226 1.00 0.00 H new ATOM 300 N GLY A 22 -4.523 -11.921 5.840 1.00 0.00 N ATOM 301 CA GLY A 22 -3.748 -12.405 6.968 1.00 0.00 C ATOM 302 C GLY A 22 -4.048 -11.647 8.245 1.00 0.00 C ATOM 303 O GLY A 22 -4.425 -12.241 9.255 1.00 0.00 O ATOM 0 H GLY A 22 -5.534 -12.012 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.956 -13.464 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.686 -12.319 6.739 1.00 0.00 H new ATOM 307 N PHE A 23 -3.879 -10.329 8.203 1.00 0.00 N ATOM 308 CA PHE A 23 -4.132 -9.488 9.367 1.00 0.00 C ATOM 309 C PHE A 23 -5.483 -9.819 9.994 1.00 0.00 C ATOM 310 O PHE A 23 -6.380 -10.333 9.326 1.00 0.00 O ATOM 311 CB PHE A 23 -4.088 -8.010 8.974 1.00 0.00 C ATOM 312 CG PHE A 23 -2.996 -7.682 7.995 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.734 -7.323 8.440 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.232 -7.734 6.631 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.728 -7.020 7.542 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.229 -7.433 5.728 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.976 -7.076 6.184 1.00 0.00 C ATOM 0 H PHE A 23 -3.568 -9.821 7.375 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.352 -9.685 10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.049 -7.728 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.953 -7.407 9.872 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.534 -7.279 9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.210 -8.013 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.251 -6.740 7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.426 -7.477 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.191 -6.841 5.481 1.00 0.00 H new ATOM 327 N SER A 24 -5.620 -9.521 11.282 1.00 0.00 N ATOM 328 CA SER A 24 -6.859 -9.791 12.002 1.00 0.00 C ATOM 329 C SER A 24 -7.938 -8.781 11.622 1.00 0.00 C ATOM 330 O SER A 24 -7.656 -7.599 11.424 1.00 0.00 O ATOM 331 CB SER A 24 -6.616 -9.751 13.512 1.00 0.00 C ATOM 332 OG SER A 24 -6.605 -8.418 13.992 1.00 0.00 O ATOM 0 H SER A 24 -4.888 -9.092 11.849 1.00 0.00 H new ATOM 0 HA SER A 24 -7.203 -10.787 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.393 -10.319 14.024 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.666 -10.232 13.743 1.00 0.00 H new ATOM 0 HG SER A 24 -5.831 -8.288 14.579 1.00 0.00 H new ATOM 338 N ASP A 25 -9.175 -9.256 11.523 1.00 0.00 N ATOM 339 CA ASP A 25 -10.298 -8.396 11.168 1.00 0.00 C ATOM 340 C ASP A 25 -10.112 -6.995 11.743 1.00 0.00 C ATOM 341 O ASP A 25 -10.360 -5.998 11.065 1.00 0.00 O ATOM 342 CB ASP A 25 -11.609 -8.999 11.674 1.00 0.00 C ATOM 343 CG ASP A 25 -12.808 -8.128 11.353 1.00 0.00 C ATOM 344 OD1 ASP A 25 -12.828 -7.526 10.259 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.727 -8.051 12.195 1.00 0.00 O ATOM 0 H ASP A 25 -9.425 -10.232 11.684 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.338 -8.321 10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.749 -9.984 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.547 -9.144 12.753 1.00 0.00 H new ATOM 350 N GLU A 26 -9.675 -6.928 12.997 1.00 0.00 N ATOM 351 CA GLU A 26 -9.458 -5.649 13.663 1.00 0.00 C ATOM 352 C GLU A 26 -8.338 -4.866 12.985 1.00 0.00 C ATOM 353 O GLU A 26 -8.559 -3.775 12.460 1.00 0.00 O ATOM 354 CB GLU A 26 -9.122 -5.868 15.139 1.00 0.00 C ATOM 355 CG GLU A 26 -9.568 -4.729 16.040 1.00 0.00 C ATOM 356 CD GLU A 26 -8.805 -4.688 17.350 1.00 0.00 C ATOM 357 OE1 GLU A 26 -8.529 -5.771 17.909 1.00 0.00 O ATOM 358 OE2 GLU A 26 -8.483 -3.575 17.816 1.00 0.00 O ATOM 0 H GLU A 26 -9.464 -7.744 13.572 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.378 -5.069 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.591 -6.792 15.477 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.045 -6.001 15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.434 -3.783 15.516 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.633 -4.831 16.247 1.00 0.00 H new ATOM 365 N GLU A 27 -7.135 -5.431 13.001 1.00 0.00 N ATOM 366 CA GLU A 27 -5.979 -4.785 12.389 1.00 0.00 C ATOM 367 C GLU A 27 -6.294 -4.346 10.962 1.00 0.00 C ATOM 368 O GLU A 27 -5.841 -3.294 10.510 1.00 0.00 O ATOM 369 CB GLU A 27 -4.778 -5.733 12.390 1.00 0.00 C ATOM 370 CG GLU A 27 -4.059 -5.804 13.727 1.00 0.00 C ATOM 371 CD GLU A 27 -5.015 -5.796 14.904 1.00 0.00 C ATOM 372 OE1 GLU A 27 -5.699 -4.771 15.106 1.00 0.00 O ATOM 373 OE2 GLU A 27 -5.079 -6.816 15.622 1.00 0.00 O ATOM 0 H GLU A 27 -6.935 -6.334 13.431 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.735 -3.900 12.977 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.115 -6.732 12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.072 -5.412 11.624 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.453 -6.709 13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.375 -4.959 13.813 1.00 0.00 H new ATOM 380 N LYS A 28 -7.073 -5.159 10.257 1.00 0.00 N ATOM 381 CA LYS A 28 -7.450 -4.856 8.882 1.00 0.00 C ATOM 382 C LYS A 28 -8.386 -3.653 8.827 1.00 0.00 C ATOM 383 O LYS A 28 -8.118 -2.716 8.077 1.00 0.00 O ATOM 384 CB LYS A 28 -8.123 -6.069 8.237 1.00 0.00 C ATOM 385 CG LYS A 28 -8.260 -5.958 6.728 1.00 0.00 C ATOM 386 CD LYS A 28 -9.488 -6.697 6.224 1.00 0.00 C ATOM 387 CE LYS A 28 -9.426 -8.179 6.563 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.236 -8.998 5.620 1.00 0.00 N ATOM 0 H LYS A 28 -7.456 -6.034 10.616 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.543 -4.614 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.547 -6.963 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.113 -6.200 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.324 -4.908 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.368 -6.364 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.384 -6.259 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.571 -6.573 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.389 -8.514 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.786 -8.334 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.168 -10.001 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.230 -8.695 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.877 -8.870 4.652 1.00 0.00 H new ATOM 402 N HIS A 29 -9.451 -3.704 9.614 1.00 0.00 N ATOM 403 CA HIS A 29 -10.411 -2.614 9.645 1.00 0.00 C ATOM 404 C HIS A 29 -9.678 -1.280 9.490 1.00 0.00 C ATOM 405 O HIS A 29 -9.929 -0.500 8.571 1.00 0.00 O ATOM 406 CB HIS A 29 -11.265 -2.677 10.913 1.00 0.00 C ATOM 407 CG HIS A 29 -12.654 -2.110 10.748 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.668 -2.331 11.663 1.00 0.00 N ATOM 409 CD2 HIS A 29 -13.186 -1.328 9.765 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.757 -1.707 11.240 1.00 0.00 C ATOM 411 NE2 HIS A 29 -14.457 -1.086 10.063 1.00 0.00 N ATOM 0 H HIS A 29 -9.670 -4.483 10.235 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.101 -2.709 8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.344 -3.716 11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.755 -2.135 11.709 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.662 -0.967 8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.715 -1.692 11.739 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.103 -0.528 9.504 1.00 0.00 H new ATOM 419 N SER A 30 -8.759 -1.033 10.418 1.00 0.00 N ATOM 420 CA SER A 30 -7.977 0.198 10.411 1.00 0.00 C ATOM 421 C SER A 30 -7.350 0.435 9.040 1.00 0.00 C ATOM 422 O SER A 30 -7.441 1.530 8.485 1.00 0.00 O ATOM 423 CB SER A 30 -6.885 0.139 11.481 1.00 0.00 C ATOM 424 OG SER A 30 -5.798 -0.666 11.057 1.00 0.00 O ATOM 0 H SER A 30 -8.538 -1.669 11.184 1.00 0.00 H new ATOM 0 HA SER A 30 -8.648 1.028 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.532 1.147 11.700 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.299 -0.262 12.406 1.00 0.00 H new ATOM 0 HG SER A 30 -6.116 -1.574 10.872 1.00 0.00 H new ATOM 430 N MET A 31 -6.713 -0.599 8.501 1.00 0.00 N ATOM 431 CA MET A 31 -6.072 -0.505 7.194 1.00 0.00 C ATOM 432 C MET A 31 -7.059 -0.022 6.137 1.00 0.00 C ATOM 433 O MET A 31 -6.845 1.009 5.500 1.00 0.00 O ATOM 434 CB MET A 31 -5.493 -1.861 6.787 1.00 0.00 C ATOM 435 CG MET A 31 -4.442 -2.388 7.751 1.00 0.00 C ATOM 436 SD MET A 31 -3.874 -4.044 7.321 1.00 0.00 S ATOM 437 CE MET A 31 -2.307 -3.672 6.537 1.00 0.00 C ATOM 0 H MET A 31 -6.627 -1.511 8.949 1.00 0.00 H new ATOM 0 HA MET A 31 -5.262 0.221 7.266 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.304 -2.586 6.715 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.053 -1.775 5.794 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.591 -1.707 7.762 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.854 -2.400 8.760 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.029 -4.490 5.872 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.398 -2.751 5.961 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.539 -3.548 7.300 1.00 0.00 H new ATOM 447 N GLU A 32 -8.141 -0.774 5.956 1.00 0.00 N ATOM 448 CA GLU A 32 -9.160 -0.421 4.975 1.00 0.00 C ATOM 449 C GLU A 32 -9.558 1.046 5.107 1.00 0.00 C ATOM 450 O GLU A 32 -9.415 1.825 4.166 1.00 0.00 O ATOM 451 CB GLU A 32 -10.392 -1.313 5.144 1.00 0.00 C ATOM 452 CG GLU A 32 -10.217 -2.709 4.570 1.00 0.00 C ATOM 453 CD GLU A 32 -11.220 -3.699 5.128 1.00 0.00 C ATOM 454 OE1 GLU A 32 -11.296 -3.831 6.367 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.929 -4.342 4.326 1.00 0.00 O ATOM 0 H GLU A 32 -8.334 -1.630 6.476 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.741 -0.577 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.629 -1.393 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.245 -0.835 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.318 -2.667 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.208 -3.061 4.783 1.00 0.00 H new ATOM 462 N GLU A 33 -10.059 1.413 6.283 1.00 0.00 N ATOM 463 CA GLU A 33 -10.479 2.786 6.537 1.00 0.00 C ATOM 464 C GLU A 33 -9.371 3.771 6.174 1.00 0.00 C ATOM 465 O GLU A 33 -9.629 4.825 5.594 1.00 0.00 O ATOM 466 CB GLU A 33 -10.869 2.960 8.007 1.00 0.00 C ATOM 467 CG GLU A 33 -12.168 2.264 8.378 1.00 0.00 C ATOM 468 CD GLU A 33 -13.385 3.140 8.148 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.252 4.378 8.253 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.469 2.589 7.865 1.00 0.00 O ATOM 0 H GLU A 33 -10.184 0.780 7.073 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.346 2.995 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.067 2.573 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.961 4.024 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.267 1.350 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.131 1.968 9.426 1.00 0.00 H new ATOM 477 N MET A 34 -8.138 3.418 6.520 1.00 0.00 N ATOM 478 CA MET A 34 -6.990 4.270 6.231 1.00 0.00 C ATOM 479 C MET A 34 -6.868 4.527 4.732 1.00 0.00 C ATOM 480 O MET A 34 -6.894 5.673 4.283 1.00 0.00 O ATOM 481 CB MET A 34 -5.705 3.627 6.756 1.00 0.00 C ATOM 482 CG MET A 34 -4.550 4.605 6.899 1.00 0.00 C ATOM 483 SD MET A 34 -4.600 5.516 8.454 1.00 0.00 S ATOM 484 CE MET A 34 -3.552 4.489 9.481 1.00 0.00 C ATOM 0 H MET A 34 -7.908 2.548 7.001 1.00 0.00 H new ATOM 0 HA MET A 34 -7.142 5.225 6.735 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.906 3.171 7.725 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.409 2.824 6.081 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.608 4.061 6.831 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.571 5.310 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.484 4.922 10.479 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.977 3.488 9.548 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.556 4.431 9.042 1.00 0.00 H new ATOM 494 N THR A 35 -6.735 3.452 3.961 1.00 0.00 N ATOM 495 CA THR A 35 -6.607 3.561 2.513 1.00 0.00 C ATOM 496 C THR A 35 -7.507 4.662 1.963 1.00 0.00 C ATOM 497 O THR A 35 -7.177 5.306 0.968 1.00 0.00 O ATOM 498 CB THR A 35 -6.957 2.233 1.816 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.010 1.223 2.184 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.966 2.400 0.305 1.00 0.00 C ATOM 0 H THR A 35 -6.713 2.496 4.315 1.00 0.00 H new ATOM 0 HA THR A 35 -5.566 3.808 2.306 1.00 0.00 H new ATOM 0 HB THR A 35 -7.954 1.931 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.240 0.381 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.216 1.449 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.708 3.148 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.981 2.723 -0.031 1.00 0.00 H new ATOM 508 N GLU A 36 -8.644 4.873 2.619 1.00 0.00 N ATOM 509 CA GLU A 36 -9.591 5.898 2.194 1.00 0.00 C ATOM 510 C GLU A 36 -9.150 7.278 2.672 1.00 0.00 C ATOM 511 O GLU A 36 -9.201 8.252 1.922 1.00 0.00 O ATOM 512 CB GLU A 36 -10.990 5.583 2.729 1.00 0.00 C ATOM 513 CG GLU A 36 -11.785 4.645 1.837 1.00 0.00 C ATOM 514 CD GLU A 36 -12.339 5.338 0.608 1.00 0.00 C ATOM 515 OE1 GLU A 36 -11.640 6.212 0.053 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.472 5.006 0.200 1.00 0.00 O ATOM 0 H GLU A 36 -8.932 4.349 3.445 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.619 5.902 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.899 5.139 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.543 6.515 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.147 3.818 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.608 4.216 2.409 1.00 0.00 H new ATOM 523 N MET A 37 -8.718 7.353 3.927 1.00 0.00 N ATOM 524 CA MET A 37 -8.268 8.614 4.506 1.00 0.00 C ATOM 525 C MET A 37 -7.098 9.189 3.713 1.00 0.00 C ATOM 526 O MET A 37 -7.023 10.397 3.490 1.00 0.00 O ATOM 527 CB MET A 37 -7.859 8.412 5.966 1.00 0.00 C ATOM 528 CG MET A 37 -9.039 8.255 6.911 1.00 0.00 C ATOM 529 SD MET A 37 -8.542 8.224 8.644 1.00 0.00 S ATOM 530 CE MET A 37 -8.845 6.506 9.052 1.00 0.00 C ATOM 0 H MET A 37 -8.670 6.556 4.562 1.00 0.00 H new ATOM 0 HA MET A 37 -9.096 9.321 4.463 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.226 7.528 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.257 9.262 6.287 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.738 9.076 6.752 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.570 7.333 6.673 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.103 6.167 9.775 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.842 6.404 9.481 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.775 5.900 8.149 1.00 0.00 H new ATOM 540 N GLN A 38 -6.189 8.316 3.291 1.00 0.00 N ATOM 541 CA GLN A 38 -5.023 8.739 2.524 1.00 0.00 C ATOM 542 C GLN A 38 -5.437 9.290 1.164 1.00 0.00 C ATOM 543 O GLN A 38 -4.948 10.332 0.730 1.00 0.00 O ATOM 544 CB GLN A 38 -4.056 7.568 2.341 1.00 0.00 C ATOM 545 CG GLN A 38 -3.467 7.056 3.645 1.00 0.00 C ATOM 546 CD GLN A 38 -3.031 8.176 4.569 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.573 9.226 4.117 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.173 7.958 5.871 1.00 0.00 N ATOM 0 H GLN A 38 -6.237 7.312 3.467 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.522 9.532 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.578 6.751 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.245 7.877 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.206 6.437 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.612 6.417 3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.557 7.073 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.898 8.676 6.541 1.00 0.00 H new ATOM 557 N GLY A 39 -6.342 8.582 0.494 1.00 0.00 N ATOM 558 CA GLY A 39 -6.806 9.016 -0.811 1.00 0.00 C ATOM 559 C GLY A 39 -6.909 7.871 -1.800 1.00 0.00 C ATOM 560 O GLY A 39 -6.589 8.029 -2.977 1.00 0.00 O ATOM 0 H GLY A 39 -6.762 7.716 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.782 9.491 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.124 9.771 -1.203 1.00 0.00 H new ATOM 564 N GLY A 40 -7.355 6.714 -1.320 1.00 0.00 N ATOM 565 CA GLY A 40 -7.489 5.556 -2.183 1.00 0.00 C ATOM 566 C GLY A 40 -8.660 4.675 -1.794 1.00 0.00 C ATOM 567 O GLY A 40 -9.448 5.030 -0.917 1.00 0.00 O ATOM 0 H GLY A 40 -7.626 6.559 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.614 5.888 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.570 4.971 -2.146 1.00 0.00 H new ATOM 571 N SER A 41 -8.777 3.525 -2.449 1.00 0.00 N ATOM 572 CA SER A 41 -9.864 2.594 -2.171 1.00 0.00 C ATOM 573 C SER A 41 -9.319 1.231 -1.753 1.00 0.00 C ATOM 574 O SER A 41 -8.121 0.968 -1.865 1.00 0.00 O ATOM 575 CB SER A 41 -10.760 2.441 -3.401 1.00 0.00 C ATOM 576 OG SER A 41 -11.728 3.475 -3.459 1.00 0.00 O ATOM 0 H SER A 41 -8.132 3.215 -3.176 1.00 0.00 H new ATOM 0 HA SER A 41 -10.454 2.998 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.150 2.459 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.259 1.472 -3.373 1.00 0.00 H new ATOM 0 HG SER A 41 -12.287 3.356 -4.255 1.00 0.00 H new ATOM 582 N TYR A 42 -10.207 0.369 -1.271 1.00 0.00 N ATOM 583 CA TYR A 42 -9.816 -0.966 -0.833 1.00 0.00 C ATOM 584 C TYR A 42 -10.843 -2.006 -1.272 1.00 0.00 C ATOM 585 O TYR A 42 -12.048 -1.816 -1.102 1.00 0.00 O ATOM 586 CB TYR A 42 -9.657 -1.001 0.688 1.00 0.00 C ATOM 587 CG TYR A 42 -10.882 -0.527 1.436 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.916 -1.404 1.741 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.006 0.797 1.839 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.038 -0.976 2.423 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.124 1.234 2.523 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.137 0.344 2.813 1.00 0.00 C ATOM 593 OH TYR A 42 -14.252 0.774 3.494 1.00 0.00 O ATOM 0 H TYR A 42 -11.202 0.570 -1.174 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.860 -1.207 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.425 -2.020 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.807 -0.380 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.841 -2.438 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.215 1.497 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.833 -1.670 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.204 2.267 2.829 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.164 1.729 3.696 1.00 0.00 H new ATOM 603 N LEU A 43 -10.357 -3.105 -1.837 1.00 0.00 N ATOM 604 CA LEU A 43 -11.231 -4.177 -2.301 1.00 0.00 C ATOM 605 C LEU A 43 -10.904 -5.490 -1.595 1.00 0.00 C ATOM 606 O LEU A 43 -9.796 -5.697 -1.100 1.00 0.00 O ATOM 607 CB LEU A 43 -11.098 -4.352 -3.815 1.00 0.00 C ATOM 608 CG LEU A 43 -11.859 -3.343 -4.676 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.405 -3.429 -6.125 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.359 -3.576 -4.570 1.00 0.00 C ATOM 0 H LEU A 43 -9.363 -3.278 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.259 -3.903 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.041 -4.298 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.440 -5.353 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.640 -2.341 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.957 -2.704 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.338 -3.212 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.594 -4.433 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.885 -2.849 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.596 -4.583 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.672 -3.463 -3.532 1.00 0.00 H new ATOM 622 N PRO A 44 -11.889 -6.399 -1.550 1.00 0.00 N ATOM 623 CA PRO A 44 -11.729 -7.708 -0.910 1.00 0.00 C ATOM 624 C PRO A 44 -10.789 -8.622 -1.688 1.00 0.00 C ATOM 625 O PRO A 44 -10.596 -8.452 -2.892 1.00 0.00 O ATOM 626 CB PRO A 44 -13.150 -8.278 -0.909 1.00 0.00 C ATOM 627 CG PRO A 44 -13.832 -7.597 -2.044 1.00 0.00 C ATOM 628 CD PRO A 44 -13.235 -6.219 -2.120 1.00 0.00 C ATOM 0 HA PRO A 44 -11.287 -7.625 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.143 -9.360 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.656 -8.077 0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.677 -8.141 -2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.908 -7.547 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.191 -5.856 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.819 -5.496 -1.551 1.00 0.00 H new ATOM 636 N VAL A 45 -10.205 -9.593 -0.993 1.00 0.00 N ATOM 637 CA VAL A 45 -9.286 -10.536 -1.619 1.00 0.00 C ATOM 638 C VAL A 45 -9.981 -11.335 -2.716 1.00 0.00 C ATOM 639 O VAL A 45 -11.189 -11.563 -2.663 1.00 0.00 O ATOM 640 CB VAL A 45 -8.693 -11.512 -0.586 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.597 -12.357 -1.217 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.163 -10.753 0.621 1.00 0.00 C ATOM 0 H VAL A 45 -10.352 -9.747 0.004 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.479 -9.948 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.485 -12.180 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.190 -13.040 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.011 -12.930 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.803 -11.707 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.748 -11.458 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.385 -10.060 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.976 -10.196 1.087 1.00 0.00 H new ATOM 652 N GLY A 46 -9.208 -11.759 -3.712 1.00 0.00 N ATOM 653 CA GLY A 46 -9.767 -12.529 -4.808 1.00 0.00 C ATOM 654 C GLY A 46 -10.160 -11.659 -5.986 1.00 0.00 C ATOM 655 O GLY A 46 -9.988 -12.051 -7.140 1.00 0.00 O ATOM 0 H GLY A 46 -8.206 -11.583 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.039 -13.271 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.642 -13.075 -4.455 1.00 0.00 H new ATOM 659 N ASP A 47 -10.690 -10.477 -5.695 1.00 0.00 N ATOM 660 CA ASP A 47 -11.110 -9.549 -6.739 1.00 0.00 C ATOM 661 C ASP A 47 -10.009 -9.368 -7.779 1.00 0.00 C ATOM 662 O ASP A 47 -8.892 -9.853 -7.605 1.00 0.00 O ATOM 663 CB ASP A 47 -11.481 -8.196 -6.130 1.00 0.00 C ATOM 664 CG ASP A 47 -12.256 -7.320 -7.094 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.054 -7.868 -7.883 1.00 0.00 O ATOM 666 OD2 ASP A 47 -12.066 -6.086 -7.059 1.00 0.00 O ATOM 0 H ASP A 47 -10.839 -10.138 -4.745 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.987 -9.968 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.076 -8.356 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.573 -7.678 -5.823 1.00 0.00 H new ATOM 671 N GLU A 48 -10.334 -8.668 -8.862 1.00 0.00 N ATOM 672 CA GLU A 48 -9.373 -8.425 -9.931 1.00 0.00 C ATOM 673 C GLU A 48 -9.185 -6.929 -10.164 1.00 0.00 C ATOM 674 O GLU A 48 -8.155 -6.495 -10.682 1.00 0.00 O ATOM 675 CB GLU A 48 -9.834 -9.100 -11.225 1.00 0.00 C ATOM 676 CG GLU A 48 -11.171 -8.588 -11.735 1.00 0.00 C ATOM 677 CD GLU A 48 -11.649 -9.332 -12.967 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.804 -9.657 -13.827 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.866 -9.589 -13.071 1.00 0.00 O ATOM 0 H GLU A 48 -11.255 -8.260 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.416 -8.851 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.078 -8.946 -11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.905 -10.175 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.917 -8.682 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.085 -7.526 -11.967 1.00 0.00 H new ATOM 686 N ARG A 49 -10.186 -6.145 -9.778 1.00 0.00 N ATOM 687 CA ARG A 49 -10.133 -4.698 -9.946 1.00 0.00 C ATOM 688 C ARG A 49 -9.049 -4.088 -9.062 1.00 0.00 C ATOM 689 O ARG A 49 -8.715 -2.910 -9.196 1.00 0.00 O ATOM 690 CB ARG A 49 -11.489 -4.074 -9.613 1.00 0.00 C ATOM 691 CG ARG A 49 -12.508 -4.196 -10.735 1.00 0.00 C ATOM 692 CD ARG A 49 -13.931 -4.181 -10.198 1.00 0.00 C ATOM 693 NE ARG A 49 -14.251 -2.922 -9.531 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.512 -1.792 -10.179 1.00 0.00 C ATOM 695 NH1 ARG A 49 -14.492 -1.765 -11.504 1.00 0.00 N ATOM 696 NH2 ARG A 49 -14.795 -0.688 -9.501 1.00 0.00 N ATOM 0 H ARG A 49 -11.044 -6.488 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.890 -4.487 -10.987 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.888 -4.550 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.346 -3.020 -9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.375 -3.375 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.335 -5.120 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.630 -4.344 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.063 -5.006 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.275 -2.909 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.276 -2.613 -12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.693 -0.896 -11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.812 -0.706 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.995 0.179 -9.999 1.00 0.00 H new ATOM 710 N CYS A 50 -8.504 -4.896 -8.160 1.00 0.00 N ATOM 711 CA CYS A 50 -7.459 -4.436 -7.252 1.00 0.00 C ATOM 712 C CYS A 50 -6.125 -4.307 -7.981 1.00 0.00 C ATOM 713 O CYS A 50 -5.694 -5.226 -8.677 1.00 0.00 O ATOM 714 CB CYS A 50 -7.319 -5.398 -6.072 1.00 0.00 C ATOM 715 SG CYS A 50 -7.191 -7.138 -6.549 1.00 0.00 S ATOM 0 H CYS A 50 -8.768 -5.874 -8.038 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.744 -3.453 -6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.435 -5.124 -5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.179 -5.275 -5.413 1.00 0.00 H new ATOM 0 HG CYS A 50 -7.074 -7.873 -5.483 1.00 0.00 H new ATOM 721 N THR A 51 -5.475 -3.159 -7.816 1.00 0.00 N ATOM 722 CA THR A 51 -4.192 -2.908 -8.459 1.00 0.00 C ATOM 723 C THR A 51 -3.041 -3.453 -7.622 1.00 0.00 C ATOM 724 O THR A 51 -2.116 -4.041 -8.180 1.00 0.00 O ATOM 725 CB THR A 51 -3.969 -1.403 -8.700 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.105 -0.685 -7.469 1.00 0.00 O ATOM 727 CG2 THR A 51 -4.962 -0.865 -9.720 1.00 0.00 C ATOM 0 H THR A 51 -5.817 -2.388 -7.242 1.00 0.00 H new ATOM 0 HA THR A 51 -4.214 -3.423 -9.419 1.00 0.00 H new ATOM 0 HB THR A 51 -2.961 -1.265 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.252 -0.698 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.785 0.200 -9.874 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.836 -1.394 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.977 -1.015 -9.353 1.00 0.00 H new ATOM 735 N HIS A 52 -3.121 -3.250 -6.315 1.00 0.00 N ATOM 736 CA HIS A 52 -2.082 -3.727 -5.418 1.00 0.00 C ATOM 737 C HIS A 52 -2.669 -4.758 -4.453 1.00 0.00 C ATOM 738 O HIS A 52 -3.866 -4.773 -4.162 1.00 0.00 O ATOM 739 CB HIS A 52 -1.407 -2.557 -4.698 1.00 0.00 C ATOM 740 CG HIS A 52 -0.794 -1.536 -5.626 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.525 -0.869 -6.594 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.485 -1.074 -5.724 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.711 -0.046 -7.239 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.534 -0.175 -6.699 1.00 0.00 N ATOM 0 H HIS A 52 -3.890 -2.761 -5.856 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.301 -4.224 -5.993 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.142 -2.061 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.630 -2.948 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.318 -1.387 -5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.986 0.612 -8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.366 0.335 -6.995 1.00 0.00 H new ATOM 752 N LEU A 53 -1.794 -5.627 -3.959 1.00 0.00 N ATOM 753 CA LEU A 53 -2.198 -6.672 -3.025 1.00 0.00 C ATOM 754 C LEU A 53 -1.184 -6.813 -1.894 1.00 0.00 C ATOM 755 O LEU A 53 -0.049 -7.235 -2.115 1.00 0.00 O ATOM 756 CB LEU A 53 -2.352 -8.006 -3.757 1.00 0.00 C ATOM 757 CG LEU A 53 -2.395 -9.255 -2.875 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.661 -9.269 -2.032 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.305 -10.513 -3.727 1.00 0.00 C ATOM 0 H LEU A 53 -0.800 -5.629 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.158 -6.389 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.268 -7.970 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.525 -8.110 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.536 -9.233 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.675 -10.165 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.684 -8.385 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.533 -9.267 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.337 -11.392 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.144 -10.542 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.370 -10.507 -4.287 1.00 0.00 H new ATOM 771 N ILE A 54 -1.603 -6.460 -0.683 1.00 0.00 N ATOM 772 CA ILE A 54 -0.732 -6.551 0.482 1.00 0.00 C ATOM 773 C ILE A 54 -1.061 -7.782 1.319 1.00 0.00 C ATOM 774 O ILE A 54 -2.188 -7.947 1.786 1.00 0.00 O ATOM 775 CB ILE A 54 -0.846 -5.296 1.368 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.380 -4.058 0.600 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.032 -5.473 2.642 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.486 -3.379 -0.179 1.00 0.00 C ATOM 0 H ILE A 54 -2.540 -6.109 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 54 0.289 -6.631 0.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.892 -5.157 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.049 -3.344 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.415 -4.345 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.122 -4.579 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.406 -6.334 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.015 -5.633 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.084 -2.509 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.900 -4.077 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.271 -3.061 0.507 1.00 0.00 H new ATOM 790 N VAL A 55 -0.067 -8.646 1.507 1.00 0.00 N ATOM 791 CA VAL A 55 -0.249 -9.862 2.291 1.00 0.00 C ATOM 792 C VAL A 55 0.762 -9.938 3.429 1.00 0.00 C ATOM 793 O VAL A 55 1.938 -9.623 3.249 1.00 0.00 O ATOM 794 CB VAL A 55 -0.115 -11.120 1.413 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.186 -11.086 0.626 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.199 -12.376 2.267 1.00 0.00 C ATOM 0 H VAL A 55 0.872 -8.526 1.127 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.256 -9.824 2.707 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.941 -11.136 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.263 -11.983 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.201 -10.205 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.028 -11.046 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.103 -13.256 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.605 -12.370 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.160 -12.403 2.780 1.00 0.00 H new ATOM 806 N GLU A 56 0.297 -10.360 4.600 1.00 0.00 N ATOM 807 CA GLU A 56 1.162 -10.478 5.768 1.00 0.00 C ATOM 808 C GLU A 56 2.056 -11.710 5.660 1.00 0.00 C ATOM 809 O GLU A 56 1.747 -12.764 6.215 1.00 0.00 O ATOM 810 CB GLU A 56 0.324 -10.553 7.046 1.00 0.00 C ATOM 811 CG GLU A 56 1.153 -10.704 8.310 1.00 0.00 C ATOM 812 CD GLU A 56 0.403 -10.273 9.555 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.790 -10.621 9.679 1.00 0.00 O ATOM 814 OE2 GLU A 56 1.009 -9.589 10.406 1.00 0.00 O ATOM 0 H GLU A 56 -0.674 -10.626 4.765 1.00 0.00 H new ATOM 0 HA GLU A 56 1.796 -9.592 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.283 -9.651 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.364 -11.395 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.459 -11.745 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.063 -10.112 8.216 1.00 0.00 H new ATOM 821 N GLU A 57 3.166 -11.567 4.942 1.00 0.00 N ATOM 822 CA GLU A 57 4.104 -12.669 4.760 1.00 0.00 C ATOM 823 C GLU A 57 4.543 -13.237 6.107 1.00 0.00 C ATOM 824 O GLU A 57 5.010 -14.372 6.191 1.00 0.00 O ATOM 825 CB GLU A 57 5.327 -12.201 3.969 1.00 0.00 C ATOM 826 CG GLU A 57 6.159 -11.157 4.695 1.00 0.00 C ATOM 827 CD GLU A 57 7.122 -11.770 5.694 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.778 -12.774 5.347 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.218 -11.245 6.823 1.00 0.00 O ATOM 0 H GLU A 57 3.437 -10.700 4.478 1.00 0.00 H new ATOM 0 HA GLU A 57 3.597 -13.456 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.956 -13.063 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.997 -11.791 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.721 -10.574 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.495 -10.465 5.213 1.00 0.00 H new ATOM 836 N ASN A 58 4.389 -12.439 7.158 1.00 0.00 N ATOM 837 CA ASN A 58 4.770 -12.861 8.501 1.00 0.00 C ATOM 838 C ASN A 58 4.099 -14.181 8.867 1.00 0.00 C ATOM 839 O ASN A 58 4.758 -15.129 9.295 1.00 0.00 O ATOM 840 CB ASN A 58 4.396 -11.785 9.522 1.00 0.00 C ATOM 841 CG ASN A 58 5.501 -10.765 9.719 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.535 -11.061 10.318 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.286 -9.556 9.214 1.00 0.00 N ATOM 0 H ASN A 58 4.003 -11.496 7.106 1.00 0.00 H new ATOM 0 HA ASN A 58 5.850 -13.006 8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.490 -11.276 9.194 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.168 -12.258 10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.993 -8.828 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.414 -9.355 8.725 1.00 0.00 H new ATOM 850 N THR A 59 2.781 -14.236 8.696 1.00 0.00 N ATOM 851 CA THR A 59 2.020 -15.439 9.009 1.00 0.00 C ATOM 852 C THR A 59 1.599 -16.169 7.739 1.00 0.00 C ATOM 853 O THR A 59 1.541 -17.398 7.707 1.00 0.00 O ATOM 854 CB THR A 59 0.764 -15.109 9.838 1.00 0.00 C ATOM 855 OG1 THR A 59 0.109 -16.318 10.237 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.200 -14.245 9.039 1.00 0.00 C ATOM 0 H THR A 59 2.219 -13.461 8.343 1.00 0.00 H new ATOM 0 HA THR A 59 2.675 -16.084 9.595 1.00 0.00 H new ATOM 0 HB THR A 59 1.075 -14.555 10.724 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.687 -16.100 10.765 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.079 -14.025 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.292 -13.313 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.504 -14.777 8.138 1.00 0.00 H new ATOM 864 N VAL A 60 1.307 -15.404 6.691 1.00 0.00 N ATOM 865 CA VAL A 60 0.893 -15.979 5.417 1.00 0.00 C ATOM 866 C VAL A 60 2.076 -16.607 4.688 1.00 0.00 C ATOM 867 O VAL A 60 3.207 -16.132 4.791 1.00 0.00 O ATOM 868 CB VAL A 60 0.247 -14.919 4.506 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.125 -15.524 3.161 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.972 -14.309 5.181 1.00 0.00 C ATOM 0 H VAL A 60 1.350 -14.385 6.700 1.00 0.00 H new ATOM 0 HA VAL A 60 0.157 -16.751 5.642 1.00 0.00 H new ATOM 0 HB VAL A 60 0.973 -14.125 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.580 -14.759 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.771 -15.908 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.833 -16.339 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.416 -13.562 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.703 -15.091 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.672 -13.836 6.116 1.00 0.00 H new ATOM 880 N LYS A 61 1.807 -17.678 3.949 1.00 0.00 N ATOM 881 CA LYS A 61 2.848 -18.372 3.199 1.00 0.00 C ATOM 882 C LYS A 61 2.439 -18.553 1.741 1.00 0.00 C ATOM 883 O LYS A 61 3.231 -18.312 0.830 1.00 0.00 O ATOM 884 CB LYS A 61 3.138 -19.735 3.832 1.00 0.00 C ATOM 885 CG LYS A 61 1.886 -20.521 4.184 1.00 0.00 C ATOM 886 CD LYS A 61 2.112 -21.418 5.389 1.00 0.00 C ATOM 887 CE LYS A 61 0.797 -21.810 6.046 1.00 0.00 C ATOM 888 NZ LYS A 61 0.350 -20.796 7.041 1.00 0.00 N ATOM 0 H LYS A 61 0.876 -18.085 3.853 1.00 0.00 H new ATOM 0 HA LYS A 61 3.752 -17.764 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.745 -20.324 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.731 -19.588 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.068 -19.831 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.583 -21.127 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.648 -22.316 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.743 -20.904 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.030 -21.930 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.911 -22.776 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.549 -21.100 7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.070 -20.699 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.217 -19.880 6.567 1.00 0.00 H new ATOM 902 N ASP A 62 1.199 -18.978 1.528 1.00 0.00 N ATOM 903 CA ASP A 62 0.684 -19.189 0.179 1.00 0.00 C ATOM 904 C ASP A 62 -0.669 -18.506 0.001 1.00 0.00 C ATOM 905 O ASP A 62 -1.533 -18.579 0.876 1.00 0.00 O ATOM 906 CB ASP A 62 0.557 -20.685 -0.113 1.00 0.00 C ATOM 907 CG ASP A 62 0.020 -21.463 1.073 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.940 -20.984 1.711 1.00 0.00 O ATOM 909 OD2 ASP A 62 0.562 -22.550 1.363 1.00 0.00 O ATOM 0 H ASP A 62 0.531 -19.183 2.271 1.00 0.00 H new ATOM 0 HA ASP A 62 1.389 -18.748 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.103 -20.831 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.533 -21.082 -0.392 1.00 0.00 H new ATOM 914 N LEU A 63 -0.845 -17.842 -1.135 1.00 0.00 N ATOM 915 CA LEU A 63 -2.092 -17.144 -1.429 1.00 0.00 C ATOM 916 C LEU A 63 -3.237 -18.134 -1.619 1.00 0.00 C ATOM 917 O LEU A 63 -3.069 -19.215 -2.183 1.00 0.00 O ATOM 918 CB LEU A 63 -1.935 -16.281 -2.682 1.00 0.00 C ATOM 919 CG LEU A 63 -1.118 -14.999 -2.516 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.659 -14.480 -3.869 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.930 -13.941 -1.783 1.00 0.00 C ATOM 0 H LEU A 63 -0.140 -17.772 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.328 -16.501 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.470 -16.886 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.929 -16.011 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.235 -15.228 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.079 -13.567 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.040 -15.233 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.528 -14.267 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.333 -13.035 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.831 -13.715 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.208 -14.314 -0.797 1.00 0.00 H new ATOM 933 N PRO A 64 -4.432 -17.756 -1.140 1.00 0.00 N ATOM 934 CA PRO A 64 -5.629 -18.595 -1.248 1.00 0.00 C ATOM 935 C PRO A 64 -6.131 -18.706 -2.683 1.00 0.00 C ATOM 936 O PRO A 64 -6.856 -19.640 -3.027 1.00 0.00 O ATOM 937 CB PRO A 64 -6.655 -17.863 -0.378 1.00 0.00 C ATOM 938 CG PRO A 64 -6.207 -16.442 -0.379 1.00 0.00 C ATOM 939 CD PRO A 64 -4.705 -16.481 -0.456 1.00 0.00 C ATOM 0 HA PRO A 64 -5.437 -19.621 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.661 -17.961 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.679 -18.270 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.627 -15.901 -1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.538 -15.928 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.309 -15.633 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.251 -16.451 0.534 1.00 0.00 H new ATOM 947 N PHE A 65 -5.740 -17.749 -3.518 1.00 0.00 N ATOM 948 CA PHE A 65 -6.151 -17.740 -4.917 1.00 0.00 C ATOM 949 C PHE A 65 -4.949 -17.538 -5.836 1.00 0.00 C ATOM 950 O PHE A 65 -3.808 -17.487 -5.379 1.00 0.00 O ATOM 951 CB PHE A 65 -7.184 -16.637 -5.160 1.00 0.00 C ATOM 952 CG PHE A 65 -6.583 -15.264 -5.259 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.017 -14.660 -4.149 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.585 -14.578 -6.463 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.463 -13.396 -4.237 1.00 0.00 C ATOM 956 CE2 PHE A 65 -6.032 -13.315 -6.557 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.472 -12.723 -5.442 1.00 0.00 C ATOM 0 H PHE A 65 -5.139 -16.970 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.601 -18.706 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.726 -16.855 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.913 -16.648 -4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.008 -15.182 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.024 -15.035 -7.338 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.024 -12.936 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.038 -12.791 -7.502 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.042 -11.735 -5.513 1.00 0.00 H new ATOM 967 N GLU A 66 -5.216 -17.424 -7.133 1.00 0.00 N ATOM 968 CA GLU A 66 -4.157 -17.230 -8.116 1.00 0.00 C ATOM 969 C GLU A 66 -4.331 -15.902 -8.848 1.00 0.00 C ATOM 970 O GLU A 66 -5.020 -15.811 -9.864 1.00 0.00 O ATOM 971 CB GLU A 66 -4.146 -18.382 -9.122 1.00 0.00 C ATOM 972 CG GLU A 66 -3.504 -19.651 -8.588 1.00 0.00 C ATOM 973 CD GLU A 66 -3.803 -20.864 -9.448 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.979 -21.045 -9.828 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.863 -21.631 -9.740 1.00 0.00 O ATOM 0 H GLU A 66 -6.156 -17.463 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.204 -17.211 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.171 -18.602 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.613 -18.065 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.425 -19.510 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.858 -19.834 -7.573 1.00 0.00 H new ATOM 982 N PRO A 67 -3.692 -14.847 -8.320 1.00 0.00 N ATOM 983 CA PRO A 67 -3.761 -13.506 -8.907 1.00 0.00 C ATOM 984 C PRO A 67 -3.018 -13.415 -10.235 1.00 0.00 C ATOM 985 O PRO A 67 -2.222 -14.291 -10.574 1.00 0.00 O ATOM 986 CB PRO A 67 -3.084 -12.624 -7.854 1.00 0.00 C ATOM 987 CG PRO A 67 -2.172 -13.543 -7.119 1.00 0.00 C ATOM 988 CD PRO A 67 -2.853 -14.884 -7.111 1.00 0.00 C ATOM 0 HA PRO A 67 -4.786 -13.213 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.532 -11.806 -8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.817 -12.174 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.200 -13.602 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.996 -13.189 -6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.132 -15.701 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.451 -15.026 -6.211 1.00 0.00 H new ATOM 996 N SER A 68 -3.282 -12.349 -10.984 1.00 0.00 N ATOM 997 CA SER A 68 -2.641 -12.146 -12.278 1.00 0.00 C ATOM 998 C SER A 68 -1.264 -11.512 -12.108 1.00 0.00 C ATOM 999 O SER A 68 -1.027 -10.756 -11.165 1.00 0.00 O ATOM 1000 CB SER A 68 -3.514 -11.263 -13.171 1.00 0.00 C ATOM 1001 OG SER A 68 -3.837 -10.044 -12.524 1.00 0.00 O ATOM 0 H SER A 68 -3.935 -11.613 -10.717 1.00 0.00 H new ATOM 0 HA SER A 68 -2.518 -13.120 -12.751 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.991 -11.055 -14.105 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.430 -11.795 -13.430 1.00 0.00 H new ATOM 0 HG SER A 68 -4.519 -9.569 -13.043 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.357 -11.825 -13.027 1.00 0.00 N ATOM 1008 CA LYS A 69 0.997 -11.286 -12.982 1.00 0.00 C ATOM 1009 C LYS A 69 0.975 -9.762 -12.942 1.00 0.00 C ATOM 1010 O LYS A 69 1.740 -9.138 -12.206 1.00 0.00 O ATOM 1011 CB LYS A 69 1.798 -11.764 -14.195 1.00 0.00 C ATOM 1012 CG LYS A 69 3.220 -11.230 -14.234 1.00 0.00 C ATOM 1013 CD LYS A 69 3.301 -9.914 -14.990 1.00 0.00 C ATOM 1014 CE LYS A 69 4.677 -9.280 -14.860 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.716 -10.056 -15.592 1.00 0.00 N ATOM 0 H LYS A 69 -0.535 -12.450 -13.813 1.00 0.00 H new ATOM 0 HA LYS A 69 1.476 -11.648 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.828 -12.854 -14.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.280 -11.460 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.585 -11.089 -13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.872 -11.964 -14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.075 -10.084 -16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.545 -9.227 -14.609 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.645 -8.261 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.948 -9.214 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.640 -9.592 -15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.764 -11.021 -15.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.471 -10.098 -16.602 1.00 0.00 H new ATOM 1029 N LYS A 70 0.093 -9.166 -13.738 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.031 -7.714 -13.792 1.00 0.00 C ATOM 1031 C LYS A 70 -0.181 -7.129 -12.392 1.00 0.00 C ATOM 1032 O LYS A 70 0.416 -6.100 -12.071 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.231 -7.317 -14.655 1.00 0.00 C ATOM 1034 CG LYS A 70 -2.552 -7.873 -14.153 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.604 -7.886 -15.249 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.270 -6.527 -15.398 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.185 -6.230 -14.262 1.00 0.00 N ATOM 0 H LYS A 70 -0.547 -9.667 -14.355 1.00 0.00 H new ATOM 0 HA LYS A 70 0.878 -7.312 -14.238 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.296 -6.230 -14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.065 -7.664 -15.675 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.403 -8.886 -13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.906 -7.272 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.143 -8.172 -16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.358 -8.639 -15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.505 -5.753 -15.460 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.830 -6.498 -16.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.815 -5.444 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.754 -7.073 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.626 -5.966 -13.426 1.00 0.00 H new ATOM 1051 N LEU A 71 -0.980 -7.789 -11.562 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.208 -7.335 -10.194 1.00 0.00 C ATOM 1053 C LEU A 71 0.091 -7.343 -9.395 1.00 0.00 C ATOM 1054 O LEU A 71 0.839 -8.321 -9.415 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.248 -8.221 -9.508 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.537 -7.903 -8.040 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.263 -6.572 -7.916 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.352 -9.019 -7.403 1.00 0.00 C ATOM 0 H LEU A 71 -1.482 -8.641 -11.812 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.582 -6.312 -10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.182 -8.149 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.915 -9.257 -9.576 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.587 -7.827 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.461 -6.362 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.643 -5.779 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.206 -6.620 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.548 -8.776 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.298 -9.128 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.795 -9.954 -7.459 1.00 0.00 H new ATOM 1070 N PHE A 72 0.353 -6.247 -8.690 1.00 0.00 N ATOM 1071 CA PHE A 72 1.561 -6.128 -7.882 1.00 0.00 C ATOM 1072 C PHE A 72 1.276 -6.474 -6.423 1.00 0.00 C ATOM 1073 O PHE A 72 0.382 -5.901 -5.801 1.00 0.00 O ATOM 1074 CB PHE A 72 2.128 -4.710 -7.980 1.00 0.00 C ATOM 1075 CG PHE A 72 2.420 -4.277 -9.388 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.604 -4.643 -10.008 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.510 -3.505 -10.093 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.876 -4.245 -11.303 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.776 -3.105 -11.389 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.960 -3.476 -11.995 1.00 0.00 C ATOM 0 H PHE A 72 -0.255 -5.429 -8.662 1.00 0.00 H new ATOM 0 HA PHE A 72 2.297 -6.834 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.419 -4.012 -7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.045 -4.653 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.322 -5.246 -9.473 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.582 -3.213 -9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.804 -4.535 -11.774 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.059 -2.503 -11.927 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.170 -3.166 -13.008 1.00 0.00 H new ATOM 1090 N VAL A 73 2.043 -7.417 -5.884 1.00 0.00 N ATOM 1091 CA VAL A 73 1.875 -7.840 -4.500 1.00 0.00 C ATOM 1092 C VAL A 73 3.066 -7.417 -3.647 1.00 0.00 C ATOM 1093 O VAL A 73 4.219 -7.656 -4.009 1.00 0.00 O ATOM 1094 CB VAL A 73 1.700 -9.367 -4.397 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.260 -9.761 -2.995 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.704 -9.859 -5.435 1.00 0.00 C ATOM 0 H VAL A 73 2.787 -7.902 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 73 0.974 -7.353 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 73 2.662 -9.840 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.142 -10.843 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.013 -9.442 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.310 -9.280 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.592 -10.940 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.261 -9.380 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.066 -9.610 -6.433 1.00 0.00 H new ATOM 1106 N VAL A 74 2.781 -6.789 -2.511 1.00 0.00 N ATOM 1107 CA VAL A 74 3.829 -6.334 -1.605 1.00 0.00 C ATOM 1108 C VAL A 74 3.547 -6.775 -0.173 1.00 0.00 C ATOM 1109 O VAL A 74 2.506 -7.369 0.112 1.00 0.00 O ATOM 1110 CB VAL A 74 3.974 -4.801 -1.639 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.532 -4.347 -2.979 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.637 -4.133 -1.355 1.00 0.00 C ATOM 0 H VAL A 74 1.833 -6.584 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 74 4.760 -6.787 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 74 4.676 -4.503 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.627 -3.261 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.512 -4.798 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.857 -4.656 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.758 -3.050 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.911 -4.437 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.283 -4.433 -0.369 1.00 0.00 H new ATOM 1122 N LYS A 75 4.480 -6.480 0.725 1.00 0.00 N ATOM 1123 CA LYS A 75 4.333 -6.844 2.130 1.00 0.00 C ATOM 1124 C LYS A 75 3.520 -5.795 2.881 1.00 0.00 C ATOM 1125 O LYS A 75 3.088 -4.800 2.301 1.00 0.00 O ATOM 1126 CB LYS A 75 5.707 -7.005 2.783 1.00 0.00 C ATOM 1127 CG LYS A 75 6.569 -8.073 2.133 1.00 0.00 C ATOM 1128 CD LYS A 75 8.049 -7.783 2.315 1.00 0.00 C ATOM 1129 CE LYS A 75 8.874 -8.357 1.173 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.333 -8.315 1.468 1.00 0.00 N ATOM 0 H LYS A 75 5.347 -5.989 0.505 1.00 0.00 H new ATOM 0 HA LYS A 75 3.801 -7.794 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.233 -6.051 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.573 -7.250 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.332 -9.045 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.337 -8.131 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.205 -6.706 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.390 -8.206 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.570 -9.387 0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.671 -7.796 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.861 -8.715 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.628 -7.329 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.530 -8.871 2.324 1.00 0.00 H new ATOM 1144 N GLN A 76 3.317 -6.025 4.175 1.00 0.00 N ATOM 1145 CA GLN A 76 2.557 -5.098 5.005 1.00 0.00 C ATOM 1146 C GLN A 76 3.338 -3.809 5.237 1.00 0.00 C ATOM 1147 O GLN A 76 2.754 -2.733 5.362 1.00 0.00 O ATOM 1148 CB GLN A 76 2.212 -5.747 6.346 1.00 0.00 C ATOM 1149 CG GLN A 76 3.427 -6.048 7.208 1.00 0.00 C ATOM 1150 CD GLN A 76 4.099 -7.354 6.834 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.358 -8.452 6.937 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.271 -7.378 6.457 1.00 0.00 N flip ATOM 0 H GLN A 76 3.668 -6.845 4.670 1.00 0.00 H new ATOM 0 HA GLN A 76 1.634 -4.852 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.541 -5.088 6.897 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.669 -6.674 6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.146 -5.234 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.125 -6.086 8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.804 -6.511 6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.709 -8.265 6.209 1.00 0.00 H new ATOM 1161 N GLU A 77 4.661 -3.926 5.293 1.00 0.00 N ATOM 1162 CA GLU A 77 5.521 -2.769 5.511 1.00 0.00 C ATOM 1163 C GLU A 77 5.260 -1.691 4.463 1.00 0.00 C ATOM 1164 O GLU A 77 5.295 -0.497 4.763 1.00 0.00 O ATOM 1165 CB GLU A 77 6.993 -3.185 5.474 1.00 0.00 C ATOM 1166 CG GLU A 77 7.942 -2.111 5.978 1.00 0.00 C ATOM 1167 CD GLU A 77 7.789 -1.847 7.464 1.00 0.00 C ATOM 1168 OE1 GLU A 77 6.703 -1.388 7.875 1.00 0.00 O ATOM 1169 OE2 GLU A 77 8.754 -2.100 8.215 1.00 0.00 O ATOM 0 H GLU A 77 5.160 -4.810 5.190 1.00 0.00 H new ATOM 0 HA GLU A 77 5.291 -2.359 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.123 -4.084 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.263 -3.445 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.969 -2.412 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.764 -1.187 5.428 1.00 0.00 H new ATOM 1176 N TRP A 78 4.998 -2.121 3.234 1.00 0.00 N ATOM 1177 CA TRP A 78 4.731 -1.193 2.141 1.00 0.00 C ATOM 1178 C TRP A 78 3.559 -0.278 2.477 1.00 0.00 C ATOM 1179 O TRP A 78 3.719 0.938 2.582 1.00 0.00 O ATOM 1180 CB TRP A 78 4.440 -1.962 0.851 1.00 0.00 C ATOM 1181 CG TRP A 78 4.309 -1.078 -0.352 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.300 -0.731 -1.226 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.120 -0.426 -0.811 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.798 0.096 -2.201 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.463 0.298 -1.970 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.799 -0.386 -0.358 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.532 1.053 -2.678 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.876 0.365 -1.062 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.246 1.075 -2.212 1.00 0.00 C ATOM 0 H TRP A 78 4.965 -3.106 2.969 1.00 0.00 H new ATOM 0 HA TRP A 78 5.618 -0.577 1.996 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.239 -2.682 0.678 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.519 -2.532 0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.327 -1.059 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.333 0.495 -2.972 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.504 -0.932 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.815 1.602 -3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.148 0.405 -0.720 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.501 1.651 -2.741 1.00 0.00 H new ATOM 1200 N PHE A 79 2.381 -0.870 2.646 1.00 0.00 N ATOM 1201 CA PHE A 79 1.182 -0.107 2.970 1.00 0.00 C ATOM 1202 C PHE A 79 1.443 0.851 4.128 1.00 0.00 C ATOM 1203 O PHE A 79 1.045 2.015 4.087 1.00 0.00 O ATOM 1204 CB PHE A 79 0.031 -1.051 3.324 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.111 -0.369 4.022 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.120 0.240 3.294 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.176 -0.339 5.406 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.172 0.869 3.934 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.225 0.288 6.051 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.225 0.892 5.314 1.00 0.00 C ATOM 0 H PHE A 79 2.232 -1.876 2.564 1.00 0.00 H new ATOM 0 HA PHE A 79 0.906 0.478 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.339 -1.518 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.410 -1.850 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.085 0.223 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.398 -0.811 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.952 1.342 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.263 0.306 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.047 1.381 5.816 1.00 0.00 H new ATOM 1220 N TRP A 80 2.113 0.353 5.161 1.00 0.00 N ATOM 1221 CA TRP A 80 2.428 1.164 6.331 1.00 0.00 C ATOM 1222 C TRP A 80 3.293 2.359 5.949 1.00 0.00 C ATOM 1223 O TRP A 80 2.924 3.508 6.190 1.00 0.00 O ATOM 1224 CB TRP A 80 3.142 0.318 7.386 1.00 0.00 C ATOM 1225 CG TRP A 80 2.238 -0.657 8.078 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.388 -2.013 8.138 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.043 -0.350 8.806 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.358 -2.568 8.860 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.521 -1.569 9.281 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.366 0.835 9.104 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.648 -1.634 10.035 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.794 0.769 9.853 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.291 -0.458 10.312 1.00 0.00 C ATOM 0 H TRP A 80 2.449 -0.609 5.212 1.00 0.00 H new ATOM 0 HA TRP A 80 1.492 1.536 6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.958 -0.228 6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.589 0.978 8.129 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.196 -2.568 7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.237 -3.563 9.051 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.742 1.786 8.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.034 -2.579 10.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.326 1.679 10.088 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.199 -0.476 10.896 1.00 0.00 H new ATOM 1244 N GLY A 81 4.448 2.081 5.351 1.00 0.00 N ATOM 1245 CA GLY A 81 5.348 3.145 4.945 1.00 0.00 C ATOM 1246 C GLY A 81 4.652 4.212 4.124 1.00 0.00 C ATOM 1247 O GLY A 81 4.525 5.356 4.559 1.00 0.00 O ATOM 0 H GLY A 81 4.776 1.138 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.788 3.602 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.168 2.722 4.365 1.00 0.00 H new ATOM 1251 N SER A 82 4.201 3.837 2.931 1.00 0.00 N ATOM 1252 CA SER A 82 3.518 4.772 2.044 1.00 0.00 C ATOM 1253 C SER A 82 2.667 5.755 2.841 1.00 0.00 C ATOM 1254 O SER A 82 2.510 6.913 2.454 1.00 0.00 O ATOM 1255 CB SER A 82 2.641 4.013 1.046 1.00 0.00 C ATOM 1256 OG SER A 82 3.425 3.426 0.021 1.00 0.00 O ATOM 0 H SER A 82 4.296 2.893 2.557 1.00 0.00 H new ATOM 0 HA SER A 82 4.275 5.334 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.079 3.238 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.912 4.694 0.606 1.00 0.00 H new ATOM 0 HG SER A 82 2.863 2.837 -0.525 1.00 0.00 H new ATOM 1262 N ILE A 83 2.119 5.284 3.957 1.00 0.00 N ATOM 1263 CA ILE A 83 1.285 6.121 4.810 1.00 0.00 C ATOM 1264 C ILE A 83 2.134 7.075 5.643 1.00 0.00 C ATOM 1265 O ILE A 83 1.905 8.285 5.643 1.00 0.00 O ATOM 1266 CB ILE A 83 0.413 5.271 5.753 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.490 4.337 4.944 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.419 6.168 6.657 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.835 3.054 5.668 1.00 0.00 C ATOM 0 H ILE A 83 2.238 4.328 4.291 1.00 0.00 H new ATOM 0 HA ILE A 83 0.637 6.697 4.150 1.00 0.00 H new ATOM 0 HB ILE A 83 1.066 4.663 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.412 4.863 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.003 4.093 4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.030 5.553 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.242 6.796 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.066 6.799 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.477 2.441 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.080 2.507 5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.357 3.289 6.596 1.00 0.00 H new ATOM 1281 N GLN A 84 3.114 6.523 6.350 1.00 0.00 N ATOM 1282 CA GLN A 84 3.997 7.326 7.187 1.00 0.00 C ATOM 1283 C GLN A 84 4.651 8.440 6.376 1.00 0.00 C ATOM 1284 O GLN A 84 4.594 9.610 6.754 1.00 0.00 O ATOM 1285 CB GLN A 84 5.073 6.443 7.823 1.00 0.00 C ATOM 1286 CG GLN A 84 5.602 6.984 9.142 1.00 0.00 C ATOM 1287 CD GLN A 84 6.721 7.989 8.954 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.184 8.219 7.837 1.00 0.00 O ATOM 1289 NE2 GLN A 84 7.162 8.595 10.050 1.00 0.00 N ATOM 0 H GLN A 84 3.317 5.523 6.360 1.00 0.00 H new ATOM 0 HA GLN A 84 3.396 7.780 7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.663 5.446 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.903 6.336 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.786 7.453 9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.962 6.155 9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.749 8.374 10.956 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.914 9.282 9.986 1.00 0.00 H new ATOM 1298 N MET A 85 5.271 8.068 5.261 1.00 0.00 N ATOM 1299 CA MET A 85 5.934 9.037 4.397 1.00 0.00 C ATOM 1300 C MET A 85 4.945 9.657 3.414 1.00 0.00 C ATOM 1301 O MET A 85 5.292 10.565 2.659 1.00 0.00 O ATOM 1302 CB MET A 85 7.080 8.371 3.633 1.00 0.00 C ATOM 1303 CG MET A 85 6.631 7.222 2.744 1.00 0.00 C ATOM 1304 SD MET A 85 7.901 5.958 2.548 1.00 0.00 S ATOM 1305 CE MET A 85 7.129 4.886 1.339 1.00 0.00 C ATOM 0 H MET A 85 5.328 7.103 4.935 1.00 0.00 H new ATOM 0 HA MET A 85 6.338 9.830 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.580 9.120 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.815 8.001 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.735 6.769 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.358 7.612 1.764 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.823 4.093 1.061 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.227 4.446 1.766 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.866 5.465 0.454 1.00 0.00 H new ATOM 1315 N ASP A 86 3.713 9.160 3.430 1.00 0.00 N ATOM 1316 CA ASP A 86 2.673 9.665 2.541 1.00 0.00 C ATOM 1317 C ASP A 86 3.161 9.694 1.096 1.00 0.00 C ATOM 1318 O ASP A 86 2.943 10.668 0.376 1.00 0.00 O ATOM 1319 CB ASP A 86 2.239 11.066 2.974 1.00 0.00 C ATOM 1320 CG ASP A 86 1.808 11.116 4.426 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.558 10.607 5.285 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.720 11.663 4.704 1.00 0.00 O ATOM 0 H ASP A 86 3.410 8.408 4.049 1.00 0.00 H new ATOM 0 HA ASP A 86 1.817 8.993 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.063 11.763 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.416 11.400 2.342 1.00 0.00 H new ATOM 1327 N ALA A 87 3.823 8.619 0.679 1.00 0.00 N ATOM 1328 CA ALA A 87 4.341 8.521 -0.680 1.00 0.00 C ATOM 1329 C ALA A 87 4.329 7.077 -1.170 1.00 0.00 C ATOM 1330 O ALA A 87 4.816 6.176 -0.486 1.00 0.00 O ATOM 1331 CB ALA A 87 5.749 9.093 -0.751 1.00 0.00 C ATOM 0 H ALA A 87 4.013 7.804 1.263 1.00 0.00 H new ATOM 0 HA ALA A 87 3.691 9.104 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.123 9.013 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.731 10.141 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.403 8.535 -0.080 1.00 0.00 H new ATOM 1337 N ARG A 88 3.769 6.863 -2.356 1.00 0.00 N ATOM 1338 CA ARG A 88 3.692 5.528 -2.935 1.00 0.00 C ATOM 1339 C ARG A 88 5.086 4.936 -3.124 1.00 0.00 C ATOM 1340 O ARG A 88 5.763 5.221 -4.111 1.00 0.00 O ATOM 1341 CB ARG A 88 2.958 5.572 -4.277 1.00 0.00 C ATOM 1342 CG ARG A 88 2.653 4.198 -4.849 1.00 0.00 C ATOM 1343 CD ARG A 88 1.466 4.241 -5.799 1.00 0.00 C ATOM 1344 NE ARG A 88 1.520 3.172 -6.792 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.256 3.231 -7.896 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.997 4.302 -8.146 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.253 2.218 -8.753 1.00 0.00 N ATOM 0 H ARG A 88 3.362 7.598 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 88 3.136 4.892 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.024 6.120 -4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.562 6.129 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.529 3.820 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.445 3.502 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.541 4.158 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.442 5.206 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 88 0.962 2.334 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.003 5.083 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.561 4.345 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.685 1.392 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.819 2.265 -9.600 1.00 0.00 H new ATOM 1361 N ALA A 89 5.507 4.112 -2.171 1.00 0.00 N ATOM 1362 CA ALA A 89 6.819 3.479 -2.233 1.00 0.00 C ATOM 1363 C ALA A 89 6.893 2.481 -3.384 1.00 0.00 C ATOM 1364 O ALA A 89 5.870 2.082 -3.939 1.00 0.00 O ATOM 1365 CB ALA A 89 7.136 2.791 -0.914 1.00 0.00 C ATOM 0 H ALA A 89 4.959 3.867 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 89 7.562 4.256 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.118 2.323 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.134 3.527 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.383 2.029 -0.711 1.00 0.00 H new ATOM 1371 N GLY A 90 8.111 2.083 -3.739 1.00 0.00 N ATOM 1372 CA GLY A 90 8.296 1.136 -4.822 1.00 0.00 C ATOM 1373 C GLY A 90 8.046 -0.295 -4.391 1.00 0.00 C ATOM 1374 O GLY A 90 8.670 -0.784 -3.449 1.00 0.00 O ATOM 0 H GLY A 90 8.973 2.400 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.622 1.389 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.312 1.224 -5.207 1.00 0.00 H new ATOM 1378 N GLU A 91 7.129 -0.968 -5.079 1.00 0.00 N ATOM 1379 CA GLU A 91 6.797 -2.351 -4.759 1.00 0.00 C ATOM 1380 C GLU A 91 8.022 -3.250 -4.894 1.00 0.00 C ATOM 1381 O GLU A 91 8.188 -4.211 -4.141 1.00 0.00 O ATOM 1382 CB GLU A 91 5.678 -2.855 -5.673 1.00 0.00 C ATOM 1383 CG GLU A 91 4.422 -2.002 -5.625 1.00 0.00 C ATOM 1384 CD GLU A 91 4.474 -0.831 -6.587 1.00 0.00 C ATOM 1385 OE1 GLU A 91 5.229 -0.913 -7.579 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.763 0.167 -6.348 1.00 0.00 O ATOM 0 H GLU A 91 6.603 -0.578 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 91 6.455 -2.385 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.045 -2.888 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.424 -3.877 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.557 -2.622 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.280 -1.628 -4.611 1.00 0.00 H new ATOM 1393 N THR A 92 8.879 -2.932 -5.859 1.00 0.00 N ATOM 1394 CA THR A 92 10.088 -3.711 -6.095 1.00 0.00 C ATOM 1395 C THR A 92 10.932 -3.813 -4.830 1.00 0.00 C ATOM 1396 O THR A 92 11.854 -4.624 -4.751 1.00 0.00 O ATOM 1397 CB THR A 92 10.942 -3.096 -7.220 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.152 -2.937 -8.404 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.149 -3.971 -7.524 1.00 0.00 C ATOM 0 H THR A 92 8.758 -2.140 -6.490 1.00 0.00 H new ATOM 0 HA THR A 92 9.767 -4.708 -6.396 1.00 0.00 H new ATOM 0 HB THR A 92 11.295 -2.121 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.702 -2.544 -9.114 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.737 -3.516 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.764 -4.066 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.812 -4.959 -7.840 1.00 0.00 H new ATOM 1407 N MET A 93 10.611 -2.984 -3.842 1.00 0.00 N ATOM 1408 CA MET A 93 11.340 -2.983 -2.579 1.00 0.00 C ATOM 1409 C MET A 93 10.626 -3.841 -1.539 1.00 0.00 C ATOM 1410 O MET A 93 11.230 -4.273 -0.556 1.00 0.00 O ATOM 1411 CB MET A 93 11.496 -1.554 -2.057 1.00 0.00 C ATOM 1412 CG MET A 93 12.663 -0.804 -2.678 1.00 0.00 C ATOM 1413 SD MET A 93 12.308 -0.228 -4.349 1.00 0.00 S ATOM 1414 CE MET A 93 12.094 1.528 -4.064 1.00 0.00 C ATOM 0 H MET A 93 9.852 -2.305 -3.892 1.00 0.00 H new ATOM 0 HA MET A 93 12.328 -3.407 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.576 -1.003 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.628 -1.583 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.917 0.050 -2.050 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.537 -1.454 -2.700 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.868 2.025 -5.008 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.273 1.686 -3.365 1.00 0.00 H new ATOM 0 HE3 MET A 93 13.011 1.943 -3.646 1.00 0.00 H new ATOM 1424 N TYR A 94 9.340 -4.085 -1.761 1.00 0.00 N ATOM 1425 CA TYR A 94 8.544 -4.889 -0.842 1.00 0.00 C ATOM 1426 C TYR A 94 7.778 -5.975 -1.591 1.00 0.00 C ATOM 1427 O TYR A 94 6.783 -6.505 -1.094 1.00 0.00 O ATOM 1428 CB TYR A 94 7.567 -4.001 -0.069 1.00 0.00 C ATOM 1429 CG TYR A 94 8.206 -2.761 0.514 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.573 -1.697 -0.300 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.445 -2.655 1.879 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.158 -0.562 0.227 1.00 0.00 C ATOM 1433 CE2 TYR A 94 9.029 -1.523 2.415 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.383 -0.480 1.586 1.00 0.00 C ATOM 1435 OH TYR A 94 9.966 0.648 2.116 1.00 0.00 O ATOM 0 H TYR A 94 8.826 -3.737 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 94 9.224 -5.369 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.756 -3.703 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.121 -4.583 0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.398 -1.758 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.170 -3.471 2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.437 0.256 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.207 -1.456 3.478 1.00 0.00 H new ATOM 0 HH TYR A 94 10.053 0.546 3.087 1.00 0.00 H new ATOM 1445 N LEU A 95 8.249 -6.303 -2.789 1.00 0.00 N ATOM 1446 CA LEU A 95 7.611 -7.327 -3.608 1.00 0.00 C ATOM 1447 C LEU A 95 7.492 -8.641 -2.843 1.00 0.00 C ATOM 1448 O LEU A 95 8.494 -9.209 -2.407 1.00 0.00 O ATOM 1449 CB LEU A 95 8.404 -7.544 -4.898 1.00 0.00 C ATOM 1450 CG LEU A 95 8.000 -6.674 -6.089 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.903 -6.949 -7.281 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.543 -6.914 -6.455 1.00 0.00 C ATOM 0 H LEU A 95 9.071 -5.874 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 95 6.608 -6.983 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.459 -7.368 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.307 -8.590 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 95 8.115 -5.628 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.601 -6.321 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.936 -6.725 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.821 -7.998 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.273 -6.287 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.402 -7.962 -6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.908 -6.666 -5.604 1.00 0.00 H new ATOM 1464 N TYR A 96 6.263 -9.120 -2.686 1.00 0.00 N ATOM 1465 CA TYR A 96 6.014 -10.367 -1.974 1.00 0.00 C ATOM 1466 C TYR A 96 6.195 -11.568 -2.898 1.00 0.00 C ATOM 1467 O TYR A 96 5.291 -11.924 -3.653 1.00 0.00 O ATOM 1468 CB TYR A 96 4.602 -10.370 -1.387 1.00 0.00 C ATOM 1469 CG TYR A 96 4.200 -11.696 -0.781 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.574 -12.031 0.515 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.448 -12.613 -1.504 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.211 -13.242 1.073 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.079 -13.826 -0.953 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.463 -14.135 0.335 1.00 0.00 C ATOM 1475 OH TYR A 96 3.098 -15.342 0.886 1.00 0.00 O ATOM 0 H TYR A 96 5.424 -8.663 -3.043 1.00 0.00 H new ATOM 0 HA TYR A 96 6.738 -10.443 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.534 -9.596 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.891 -10.108 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.158 -11.333 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.147 -12.374 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.511 -13.488 2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.493 -14.528 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 96 2.573 -15.853 0.235 1.00 0.00 H new ATOM 1485 N GLU A 97 7.369 -12.186 -2.831 1.00 0.00 N ATOM 1486 CA GLU A 97 7.669 -13.347 -3.661 1.00 0.00 C ATOM 1487 C GLU A 97 7.424 -14.643 -2.894 1.00 0.00 C ATOM 1488 O GLU A 97 8.214 -15.584 -2.974 1.00 0.00 O ATOM 1489 CB GLU A 97 9.120 -13.294 -4.145 1.00 0.00 C ATOM 1490 CG GLU A 97 10.116 -12.965 -3.046 1.00 0.00 C ATOM 1491 CD GLU A 97 11.554 -13.178 -3.479 1.00 0.00 C ATOM 1492 OE1 GLU A 97 12.045 -12.393 -4.316 1.00 0.00 O ATOM 1493 OE2 GLU A 97 12.188 -14.131 -2.979 1.00 0.00 O ATOM 0 H GLU A 97 8.128 -11.903 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 97 7.004 -13.326 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.383 -14.256 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.204 -12.548 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.983 -11.928 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.907 -13.585 -2.174 1.00 0.00 H new ATOM 1500 N LYS A 98 6.324 -14.684 -2.150 1.00 0.00 N ATOM 1501 CA LYS A 98 5.972 -15.863 -1.368 1.00 0.00 C ATOM 1502 C LYS A 98 7.113 -16.260 -0.437 1.00 0.00 C ATOM 1503 O LYS A 98 7.397 -17.443 -0.257 1.00 0.00 O ATOM 1504 CB LYS A 98 5.627 -17.031 -2.295 1.00 0.00 C ATOM 1505 CG LYS A 98 4.283 -16.882 -2.988 1.00 0.00 C ATOM 1506 CD LYS A 98 3.856 -18.176 -3.660 1.00 0.00 C ATOM 1507 CE LYS A 98 4.457 -18.307 -5.051 1.00 0.00 C ATOM 1508 NZ LYS A 98 5.805 -18.938 -5.016 1.00 0.00 N ATOM 0 H LYS A 98 5.660 -13.913 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 98 5.100 -15.618 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.407 -17.127 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.628 -17.955 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.529 -16.583 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.342 -16.087 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.164 -19.024 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.769 -18.210 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.794 -18.902 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.530 -17.321 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.481 -18.341 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.116 -19.037 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.760 -19.877 -5.461 1.00 0.00 H new ATOM 1522 N ALA A 99 7.764 -15.262 0.152 1.00 0.00 N ATOM 1523 CA ALA A 99 8.871 -15.507 1.067 1.00 0.00 C ATOM 1524 C ALA A 99 8.436 -16.387 2.234 1.00 0.00 C ATOM 1525 O ALA A 99 7.751 -15.929 3.147 1.00 0.00 O ATOM 1526 CB ALA A 99 9.434 -14.189 1.579 1.00 0.00 C ATOM 0 H ALA A 99 7.543 -14.276 0.011 1.00 0.00 H new ATOM 0 HA ALA A 99 9.651 -16.035 0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.260 -14.387 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.792 -13.595 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.653 -13.639 2.105 1.00 0.00 H new ATOM 1532 N ASN A 100 8.838 -17.654 2.195 1.00 0.00 N ATOM 1533 CA ASN A 100 8.487 -18.599 3.249 1.00 0.00 C ATOM 1534 C ASN A 100 9.556 -18.621 4.338 1.00 0.00 C ATOM 1535 O ASN A 100 10.751 -18.688 4.049 1.00 0.00 O ATOM 1536 CB ASN A 100 8.308 -20.002 2.666 1.00 0.00 C ATOM 1537 CG ASN A 100 7.930 -21.023 3.721 1.00 0.00 C ATOM 1538 OD1 ASN A 100 7.282 -20.694 4.715 1.00 0.00 O ATOM 1539 ND2 ASN A 100 8.335 -22.270 3.510 1.00 0.00 N ATOM 0 H ASN A 100 9.406 -18.049 1.446 1.00 0.00 H new ATOM 0 HA ASN A 100 7.546 -18.275 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.537 -19.977 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.233 -20.311 2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.111 -23.000 4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.870 -22.498 2.672 1.00 0.00 H new ATOM 1546 N THR A 101 9.117 -18.564 5.592 1.00 0.00 N ATOM 1547 CA THR A 101 10.035 -18.576 6.724 1.00 0.00 C ATOM 1548 C THR A 101 11.122 -19.629 6.538 1.00 0.00 C ATOM 1549 O THR A 101 10.898 -20.692 5.959 1.00 0.00 O ATOM 1550 CB THR A 101 9.292 -18.849 8.046 1.00 0.00 C ATOM 1551 OG1 THR A 101 8.667 -20.136 8.000 1.00 0.00 O ATOM 1552 CG2 THR A 101 8.243 -17.779 8.308 1.00 0.00 C ATOM 0 H THR A 101 8.131 -18.509 5.849 1.00 0.00 H new ATOM 0 HA THR A 101 10.494 -17.588 6.771 1.00 0.00 H new ATOM 0 HB THR A 101 10.020 -18.828 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.198 -20.302 8.844 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.732 -17.993 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.726 -16.804 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.519 -17.772 7.493 1.00 0.00 H new ATOM 1560 N PRO A 102 12.329 -19.329 7.041 1.00 0.00 N ATOM 1561 CA PRO A 102 13.475 -20.237 6.944 1.00 0.00 C ATOM 1562 C PRO A 102 13.309 -21.475 7.819 1.00 0.00 C ATOM 1563 O PRO A 102 12.452 -21.512 8.701 1.00 0.00 O ATOM 1564 CB PRO A 102 14.646 -19.385 7.439 1.00 0.00 C ATOM 1565 CG PRO A 102 14.023 -18.365 8.327 1.00 0.00 C ATOM 1566 CD PRO A 102 12.667 -18.080 7.743 1.00 0.00 C ATOM 0 HA PRO A 102 13.607 -20.620 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.374 -19.989 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.174 -18.917 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.938 -18.736 9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.629 -17.460 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.937 -17.844 8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.694 -17.230 7.061 1.00 0.00 H new ATOM 1574 N GLU A 103 14.136 -22.486 7.570 1.00 0.00 N ATOM 1575 CA GLU A 103 14.079 -23.725 8.336 1.00 0.00 C ATOM 1576 C GLU A 103 12.722 -24.403 8.175 1.00 0.00 C ATOM 1577 O GLU A 103 12.218 -25.036 9.102 1.00 0.00 O ATOM 1578 CB GLU A 103 14.350 -23.448 9.816 1.00 0.00 C ATOM 1579 CG GLU A 103 15.798 -23.097 10.115 1.00 0.00 C ATOM 1580 CD GLU A 103 16.018 -22.708 11.564 1.00 0.00 C ATOM 1581 OE1 GLU A 103 15.174 -21.969 12.113 1.00 0.00 O ATOM 1582 OE2 GLU A 103 17.032 -23.142 12.148 1.00 0.00 O ATOM 0 H GLU A 103 14.853 -22.471 6.844 1.00 0.00 H new ATOM 0 HA GLU A 103 14.848 -24.395 7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.711 -22.629 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.070 -24.326 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.432 -23.950 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 103 16.109 -22.274 9.471 1.00 0.00 H new ATOM 1589 N SER A 104 12.135 -24.266 6.990 1.00 0.00 N ATOM 1590 CA SER A 104 10.835 -24.861 6.707 1.00 0.00 C ATOM 1591 C SER A 104 10.837 -25.549 5.345 1.00 0.00 C ATOM 1592 O SER A 104 10.517 -24.937 4.327 1.00 0.00 O ATOM 1593 CB SER A 104 9.741 -23.792 6.749 1.00 0.00 C ATOM 1594 OG SER A 104 9.306 -23.559 8.077 1.00 0.00 O ATOM 0 H SER A 104 12.540 -23.748 6.210 1.00 0.00 H new ATOM 0 HA SER A 104 10.631 -25.610 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.118 -22.864 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.896 -24.107 6.136 1.00 0.00 H new ATOM 0 HG SER A 104 8.608 -22.871 8.077 1.00 0.00 H new ATOM 1600 N GLY A 105 11.200 -26.828 5.336 1.00 0.00 N ATOM 1601 CA GLY A 105 11.238 -27.580 4.096 1.00 0.00 C ATOM 1602 C GLY A 105 10.418 -28.853 4.164 1.00 0.00 C ATOM 1603 O GLY A 105 10.318 -29.497 5.208 1.00 0.00 O ATOM 0 H GLY A 105 11.468 -27.357 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.866 -26.955 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.272 -27.830 3.858 1.00 0.00 H new ATOM 1607 N PRO A 106 9.811 -29.232 3.029 1.00 0.00 N ATOM 1608 CA PRO A 106 8.983 -30.438 2.939 1.00 0.00 C ATOM 1609 C PRO A 106 9.809 -31.717 3.040 1.00 0.00 C ATOM 1610 O PRO A 106 9.458 -32.637 3.779 1.00 0.00 O ATOM 1611 CB PRO A 106 8.340 -30.325 1.555 1.00 0.00 C ATOM 1612 CG PRO A 106 9.282 -29.480 0.768 1.00 0.00 C ATOM 1613 CD PRO A 106 9.886 -28.512 1.747 1.00 0.00 C ATOM 0 HA PRO A 106 8.263 -30.499 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 106 8.211 -31.306 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 106 7.352 -29.868 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 106 10.052 -30.090 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 106 8.760 -28.953 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.915 -28.264 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 106 9.331 -27.574 1.780 1.00 0.00 H new ATOM 1621 N SER A 107 10.907 -31.766 2.294 1.00 0.00 N ATOM 1622 CA SER A 107 11.781 -32.934 2.297 1.00 0.00 C ATOM 1623 C SER A 107 12.931 -32.749 3.283 1.00 0.00 C ATOM 1624 O SER A 107 13.625 -31.732 3.261 1.00 0.00 O ATOM 1625 CB SER A 107 12.334 -33.187 0.893 1.00 0.00 C ATOM 1626 OG SER A 107 12.980 -32.033 0.383 1.00 0.00 O ATOM 0 H SER A 107 11.213 -31.011 1.680 1.00 0.00 H new ATOM 0 HA SER A 107 11.193 -33.797 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.038 -34.019 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.522 -33.478 0.226 1.00 0.00 H new ATOM 0 HG SER A 107 13.348 -31.509 1.125 1.00 0.00 H new ATOM 1632 N SER A 108 13.126 -33.740 4.147 1.00 0.00 N ATOM 1633 CA SER A 108 14.188 -33.686 5.144 1.00 0.00 C ATOM 1634 C SER A 108 15.554 -33.563 4.476 1.00 0.00 C ATOM 1635 O SER A 108 15.799 -34.151 3.424 1.00 0.00 O ATOM 1636 CB SER A 108 14.151 -34.935 6.028 1.00 0.00 C ATOM 1637 OG SER A 108 14.881 -34.734 7.226 1.00 0.00 O ATOM 0 H SER A 108 12.562 -34.590 4.176 1.00 0.00 H new ATOM 0 HA SER A 108 14.025 -32.805 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.117 -35.185 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.567 -35.782 5.483 1.00 0.00 H new ATOM 0 HG SER A 108 14.840 -35.546 7.774 1.00 0.00 H new ATOM 1643 N GLY A 109 16.443 -32.792 5.098 1.00 0.00 N ATOM 1644 CA GLY A 109 17.773 -32.605 4.550 1.00 0.00 C ATOM 1645 C GLY A 109 18.019 -31.178 4.101 1.00 0.00 C ATOM 1646 O GLY A 109 18.545 -30.945 3.013 1.00 0.00 O ATOM 0 H GLY A 109 16.265 -32.295 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 109 18.514 -32.879 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 109 17.912 -33.278 3.704 1.00 0.00 H new TER 1650 GLY A 109