USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 849 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 31 GLN : amide:sc= -0.192 X(o=-0.4,f=-0.023) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.208 X(o=-0.4,f=-0.023) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.204 X(o=-0.9,f=-0.75) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.699 X(o=-0.9,f=-0.75) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0258) USER MOD Single : A 8 THR OG1 : rot 45:sc= 0.866 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.043 (180deg=-0.347) USER MOD Single : A 13 THR OG1 : rot 140:sc= -0.159 USER MOD Single : A 14 GLN : amide:sc= -0.235 K(o=-0.24,f=-3.2!) USER MOD Single : A 15 GLN : amide:sc= -0.885 K(o=-0.88,f=-4.3) USER MOD Single : A 16 HIS : no HD1:sc=-0.00115 X(o=-0.0012,f=-0.0026) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0169) USER MOD Single : A 49 THR OG1 : rot -170:sc= -0.352 USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= -0.0732 (180deg=-0.476) USER MOD Single : A 56 TYR OH : rot -98:sc= 0.071 USER MOD Single : A 68 THR OG1 : rot 61:sc= 0.797 USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.572 USER MOD Single : A 89 SER OG : rot 27:sc= 0.0468 USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= 0.616 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -3.1! X(o=-3.1!,f=-2.7) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0531 F(o=-0.87,f=-0.053) USER MOD Single : A 109 GLN : amide:sc=-0.00194 X(o=-0.0019,f=-0.0019) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=-0.015) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.321 21.028 3.791 1.00 0.00 N ATOM 47 CA THR A 4 10.339 19.730 4.460 1.00 0.00 C ATOM 48 C THR A 4 9.524 18.704 3.680 1.00 0.00 C ATOM 49 O THR A 4 8.516 19.041 3.052 1.00 0.00 O ATOM 50 CB THR A 4 9.805 19.857 5.893 1.00 0.00 C ATOM 51 OG1 THR A 4 9.616 18.577 6.476 1.00 0.00 O ATOM 52 CG2 THR A 4 8.488 20.603 5.981 1.00 0.00 C ATOM 0 HA THR A 4 11.372 19.385 4.501 1.00 0.00 H new ATOM 0 HB THR A 4 10.562 20.427 6.431 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.277 18.681 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.169 20.656 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.614 21.612 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.733 20.078 5.396 1.00 0.00 H new ATOM 60 N VAL A 5 9.968 17.448 3.723 1.00 0.00 N ATOM 61 CA VAL A 5 9.287 16.368 3.020 1.00 0.00 C ATOM 62 C VAL A 5 9.030 15.182 3.948 1.00 0.00 C ATOM 63 O VAL A 5 9.968 14.580 4.476 1.00 0.00 O ATOM 64 CB VAL A 5 10.110 15.883 1.808 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.320 14.875 0.984 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.549 17.061 0.948 1.00 0.00 C ATOM 0 H VAL A 5 10.798 17.156 4.239 1.00 0.00 H new ATOM 0 HA VAL A 5 8.335 16.768 2.672 1.00 0.00 H new ATOM 0 HB VAL A 5 11.004 15.385 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.921 14.548 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.069 14.015 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.403 15.340 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.128 16.696 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.670 17.594 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.164 17.737 1.543 1.00 0.00 H new ATOM 76 N LYS A 6 7.750 14.847 4.130 1.00 0.00 N ATOM 77 CA LYS A 6 7.358 13.727 4.978 1.00 0.00 C ATOM 78 C LYS A 6 6.233 12.928 4.323 1.00 0.00 C ATOM 79 O LYS A 6 5.092 13.387 4.266 1.00 0.00 O ATOM 80 CB LYS A 6 6.914 14.223 6.358 1.00 0.00 C ATOM 81 CG LYS A 6 7.470 13.404 7.514 1.00 0.00 C ATOM 82 CD LYS A 6 6.975 11.964 7.477 1.00 0.00 C ATOM 83 CE LYS A 6 7.774 11.073 8.418 1.00 0.00 C ATOM 84 NZ LYS A 6 7.720 11.553 9.829 1.00 0.00 N ATOM 0 H LYS A 6 6.968 15.339 3.698 1.00 0.00 H new ATOM 0 HA LYS A 6 8.224 13.077 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.225 15.261 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.825 14.209 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.559 13.415 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.179 13.864 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.921 11.934 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.049 11.579 6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.388 10.055 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.812 11.037 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.146 10.840 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.247 12.446 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.729 11.709 10.105 1.00 0.00 H new ATOM 98 N ARG A 7 6.560 11.733 3.831 1.00 0.00 N ATOM 99 CA ARG A 7 5.569 10.874 3.185 1.00 0.00 C ATOM 100 C ARG A 7 5.628 9.457 3.750 1.00 0.00 C ATOM 101 O ARG A 7 6.704 8.874 3.875 1.00 0.00 O ATOM 102 CB ARG A 7 5.778 10.857 1.668 1.00 0.00 C ATOM 103 CG ARG A 7 7.081 10.205 1.225 1.00 0.00 C ATOM 104 CD ARG A 7 7.165 10.099 -0.289 1.00 0.00 C ATOM 105 NE ARG A 7 7.368 11.403 -0.921 1.00 0.00 N ATOM 106 CZ ARG A 7 6.376 12.192 -1.352 1.00 0.00 C ATOM 107 NH1 ARG A 7 5.104 11.814 -1.231 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.660 13.366 -1.906 1.00 0.00 N ATOM 0 H ARG A 7 7.500 11.339 3.867 1.00 0.00 H new ATOM 0 HA ARG A 7 4.580 11.282 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.945 10.330 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.753 11.882 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.925 10.786 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.160 9.211 1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.984 9.433 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.249 9.650 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 7 8.326 11.732 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.877 10.915 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.357 12.424 -1.563 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.631 13.663 -2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.907 13.970 -2.236 1.00 0.00 H new ATOM 122 N THR A 8 4.463 8.914 4.099 1.00 0.00 N ATOM 123 CA THR A 8 4.379 7.566 4.663 1.00 0.00 C ATOM 124 C THR A 8 3.395 6.701 3.879 1.00 0.00 C ATOM 125 O THR A 8 2.325 7.166 3.484 1.00 0.00 O ATOM 126 CB THR A 8 3.966 7.633 6.142 1.00 0.00 C ATOM 127 OG1 THR A 8 3.578 6.354 6.621 1.00 0.00 O ATOM 128 CG2 THR A 8 2.814 8.584 6.403 1.00 0.00 C ATOM 0 H THR A 8 3.564 9.386 4.002 1.00 0.00 H new ATOM 0 HA THR A 8 5.365 7.107 4.590 1.00 0.00 H new ATOM 0 HB THR A 8 4.849 8.000 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.220 5.681 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.574 8.582 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.097 9.591 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.941 8.263 5.834 1.00 0.00 H new ATOM 136 N ILE A 9 3.763 5.437 3.675 1.00 0.00 N ATOM 137 CA ILE A 9 2.920 4.491 2.956 1.00 0.00 C ATOM 138 C ILE A 9 2.292 3.490 3.922 1.00 0.00 C ATOM 139 O ILE A 9 2.997 2.783 4.648 1.00 0.00 O ATOM 140 CB ILE A 9 3.715 3.736 1.865 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.773 2.868 1.025 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.822 2.889 2.483 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.017 2.973 -0.463 1.00 0.00 C ATOM 0 H ILE A 9 4.646 5.045 4.001 1.00 0.00 H new ATOM 0 HA ILE A 9 2.131 5.064 2.468 1.00 0.00 H new ATOM 0 HB ILE A 9 4.183 4.472 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.883 1.827 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.743 3.155 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.365 2.369 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.509 3.533 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.384 2.159 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.313 2.331 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.878 4.006 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.036 2.658 -0.688 1.00 0.00 H new ATOM 155 N ARG A 10 0.964 3.441 3.934 1.00 0.00 N ATOM 156 CA ARG A 10 0.245 2.534 4.818 1.00 0.00 C ATOM 157 C ARG A 10 -0.699 1.635 4.024 1.00 0.00 C ATOM 158 O ARG A 10 -1.622 2.117 3.365 1.00 0.00 O ATOM 159 CB ARG A 10 -0.539 3.328 5.865 1.00 0.00 C ATOM 160 CG ARG A 10 0.322 4.294 6.666 1.00 0.00 C ATOM 161 CD ARG A 10 -0.479 4.978 7.762 1.00 0.00 C ATOM 162 NE ARG A 10 -0.085 6.375 7.936 1.00 0.00 N ATOM 163 CZ ARG A 10 -0.840 7.295 8.544 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.028 6.970 9.049 1.00 0.00 N ATOM 165 NH2 ARG A 10 -0.404 8.545 8.648 1.00 0.00 N ATOM 0 H ARG A 10 0.366 4.018 3.342 1.00 0.00 H new ATOM 0 HA ARG A 10 0.974 1.902 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.331 3.887 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.023 2.632 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.160 3.755 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.744 5.046 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.541 4.928 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.340 4.442 8.701 1.00 0.00 H new ATOM 0 HE ARG A 10 0.822 6.665 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.369 6.012 8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.597 7.679 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.506 8.801 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.979 9.249 9.112 1.00 0.00 H new ATOM 179 N ILE A 11 -0.460 0.324 4.093 1.00 0.00 N ATOM 180 CA ILE A 11 -1.290 -0.648 3.385 1.00 0.00 C ATOM 181 C ILE A 11 -1.935 -1.629 4.362 1.00 0.00 C ATOM 182 O ILE A 11 -1.249 -2.244 5.179 1.00 0.00 O ATOM 183 CB ILE A 11 -0.482 -1.435 2.325 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.789 -2.037 2.941 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.131 -0.533 1.148 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.098 -3.438 2.456 1.00 0.00 C ATOM 0 H ILE A 11 0.302 -0.087 4.632 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.068 -0.082 2.873 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.102 -2.254 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.635 -1.389 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.684 -2.053 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.437 -1.101 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.047 -0.159 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.468 0.307 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.009 -3.796 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.271 -4.101 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.237 -3.426 1.375 1.00 0.00 H new ATOM 198 N LYS A 12 -3.259 -1.766 4.274 1.00 0.00 N ATOM 199 CA LYS A 12 -4.002 -2.666 5.151 1.00 0.00 C ATOM 200 C LYS A 12 -4.578 -3.838 4.367 1.00 0.00 C ATOM 201 O LYS A 12 -5.205 -3.649 3.322 1.00 0.00 O ATOM 202 CB LYS A 12 -5.126 -1.907 5.860 1.00 0.00 C ATOM 203 CG LYS A 12 -4.748 -1.422 7.250 1.00 0.00 C ATOM 204 CD LYS A 12 -3.975 -0.112 7.193 1.00 0.00 C ATOM 205 CE LYS A 12 -4.897 1.089 7.335 1.00 0.00 C ATOM 206 NZ LYS A 12 -5.495 1.174 8.698 1.00 0.00 N ATOM 0 H LYS A 12 -3.838 -1.263 3.602 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.311 -3.058 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.415 -1.050 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.000 -2.554 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.650 -1.288 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.145 -2.180 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.229 -0.094 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.436 -0.048 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.339 2.002 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.693 1.025 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.782 2.155 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.327 0.553 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.793 0.874 9.404 1.00 0.00 H new ATOM 220 N THR A 13 -4.359 -5.050 4.876 1.00 0.00 N ATOM 221 CA THR A 13 -4.852 -6.257 4.224 1.00 0.00 C ATOM 222 C THR A 13 -5.583 -7.161 5.216 1.00 0.00 C ATOM 223 O THR A 13 -5.057 -7.476 6.286 1.00 0.00 O ATOM 224 CB THR A 13 -3.695 -7.020 3.577 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.006 -6.198 2.650 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.137 -8.268 2.844 1.00 0.00 C ATOM 0 H THR A 13 -3.842 -5.219 5.739 1.00 0.00 H new ATOM 0 HA THR A 13 -5.559 -5.956 3.451 1.00 0.00 H new ATOM 0 HB THR A 13 -3.046 -7.313 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.042 -6.357 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.268 -8.761 2.409 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.627 -8.946 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.835 -7.997 2.052 1.00 0.00 H new ATOM 234 N GLN A 14 -6.796 -7.582 4.851 1.00 0.00 N ATOM 235 CA GLN A 14 -7.598 -8.456 5.705 1.00 0.00 C ATOM 236 C GLN A 14 -8.330 -9.512 4.878 1.00 0.00 C ATOM 237 O GLN A 14 -8.585 -9.311 3.689 1.00 0.00 O ATOM 238 CB GLN A 14 -8.604 -7.633 6.516 1.00 0.00 C ATOM 239 CG GLN A 14 -7.958 -6.758 7.580 1.00 0.00 C ATOM 240 CD GLN A 14 -8.008 -5.279 7.241 1.00 0.00 C ATOM 241 OE1 GLN A 14 -8.277 -4.896 6.102 1.00 0.00 O ATOM 242 NE2 GLN A 14 -7.748 -4.435 8.234 1.00 0.00 N ATOM 0 H GLN A 14 -7.243 -7.331 3.969 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.922 -8.967 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.176 -7.001 5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.312 -8.309 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.460 -6.924 8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.919 -7.061 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.529 -4.793 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.767 -3.429 8.066 1.00 0.00 H new ATOM 251 N GLN A 15 -8.660 -10.640 5.512 1.00 0.00 N ATOM 252 CA GLN A 15 -9.358 -11.730 4.826 1.00 0.00 C ATOM 253 C GLN A 15 -10.232 -12.529 5.794 1.00 0.00 C ATOM 254 O GLN A 15 -9.904 -12.655 6.972 1.00 0.00 O ATOM 255 CB GLN A 15 -8.341 -12.660 4.155 1.00 0.00 C ATOM 256 CG GLN A 15 -8.960 -13.894 3.511 1.00 0.00 C ATOM 257 CD GLN A 15 -8.408 -14.170 2.127 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.473 -14.951 1.967 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.989 -13.533 1.118 1.00 0.00 N ATOM 0 H GLN A 15 -8.456 -10.822 6.495 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.007 -11.290 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.798 -12.099 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.610 -12.979 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.781 -14.760 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.040 -13.763 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.763 -12.893 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.662 -13.683 0.164 1.00 0.00 H new ATOM 268 N HIS A 16 -11.341 -13.078 5.293 1.00 0.00 N ATOM 269 CA HIS A 16 -12.238 -13.871 6.135 1.00 0.00 C ATOM 270 C HIS A 16 -12.760 -15.095 5.386 1.00 0.00 C ATOM 271 O HIS A 16 -13.422 -14.965 4.360 1.00 0.00 O ATOM 272 CB HIS A 16 -13.413 -13.011 6.612 1.00 0.00 C ATOM 273 CG HIS A 16 -14.275 -13.679 7.640 1.00 0.00 C ATOM 274 ND1 HIS A 16 -15.641 -13.494 7.710 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.962 -14.536 8.642 1.00 0.00 C ATOM 276 CE1 HIS A 16 -16.129 -14.205 8.711 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.131 -14.846 9.291 1.00 0.00 N ATOM 0 H HIS A 16 -11.637 -12.990 4.321 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.670 -14.216 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.025 -12.080 7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.029 -12.745 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.977 -14.906 8.885 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.167 -14.254 9.005 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.215 -15.471 10.093 1.00 0.00 H new ATOM 286 N ILE A 17 -12.466 -16.286 5.908 1.00 0.00 N ATOM 287 CA ILE A 17 -12.919 -17.524 5.278 1.00 0.00 C ATOM 288 C ILE A 17 -14.026 -18.182 6.101 1.00 0.00 C ATOM 289 O ILE A 17 -13.761 -18.794 7.137 1.00 0.00 O ATOM 290 CB ILE A 17 -11.757 -18.524 5.087 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.546 -17.826 4.456 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.202 -19.701 4.226 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.347 -18.733 4.271 1.00 0.00 C ATOM 0 H ILE A 17 -11.920 -16.419 6.759 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.311 -17.257 4.297 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.465 -18.904 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.836 -17.420 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.258 -16.981 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.371 -20.396 4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.033 -20.213 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.520 -19.337 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.530 -18.169 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.030 -19.119 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.617 -19.565 3.620 1.00 0.00 H new ATOM 476 N VAL A 29 -17.398 -19.143 0.265 1.00 0.00 N ATOM 477 CA VAL A 29 -17.164 -17.716 0.054 1.00 0.00 C ATOM 478 C VAL A 29 -16.151 -17.166 1.057 1.00 0.00 C ATOM 479 O VAL A 29 -16.154 -17.547 2.231 1.00 0.00 O ATOM 480 CB VAL A 29 -18.474 -16.906 0.165 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.245 -15.458 -0.246 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.579 -17.536 -0.676 1.00 0.00 C ATOM 0 HA VAL A 29 -16.765 -17.610 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.794 -16.922 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.180 -14.904 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.496 -15.009 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.895 -15.424 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.491 -16.946 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.271 -17.561 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.766 -18.552 -0.329 1.00 0.00 H new ATOM 492 N ARG A 30 -15.290 -16.261 0.586 1.00 0.00 N ATOM 493 CA ARG A 30 -14.272 -15.643 1.434 1.00 0.00 C ATOM 494 C ARG A 30 -14.313 -14.121 1.307 1.00 0.00 C ATOM 495 O ARG A 30 -14.919 -13.581 0.379 1.00 0.00 O ATOM 496 CB ARG A 30 -12.870 -16.152 1.071 1.00 0.00 C ATOM 497 CG ARG A 30 -12.801 -17.649 0.801 1.00 0.00 C ATOM 498 CD ARG A 30 -11.986 -17.957 -0.445 1.00 0.00 C ATOM 499 NE ARG A 30 -11.658 -19.379 -0.549 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.252 -19.972 -1.675 1.00 0.00 C ATOM 501 NH1 ARG A 30 -11.116 -19.270 -2.798 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.978 -21.272 -1.678 1.00 0.00 N ATOM 0 H ARG A 30 -15.279 -15.940 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.490 -15.920 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.519 -15.618 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.185 -15.909 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.359 -18.154 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.810 -18.045 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.545 -17.648 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.066 -17.373 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.745 -19.953 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.322 -18.271 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.805 -19.731 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.078 -21.816 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.668 -21.726 -2.537 1.00 0.00 H new ATOM 516 N GLN A 31 -13.662 -13.433 2.242 1.00 0.00 N ATOM 517 CA GLN A 31 -13.617 -11.977 2.235 1.00 0.00 C ATOM 518 C GLN A 31 -12.192 -11.483 2.018 1.00 0.00 C ATOM 519 O GLN A 31 -11.228 -12.217 2.244 1.00 0.00 O ATOM 520 CB GLN A 31 -14.171 -11.420 3.547 1.00 0.00 C ATOM 521 CG GLN A 31 -15.087 -10.217 3.357 1.00 0.00 C ATOM 522 CD GLN A 31 -15.961 -9.945 4.569 1.00 0.00 C ATOM 523 OE1 GLN A 31 -15.958 -8.841 5.113 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.719 -10.949 4.998 1.00 0.00 N ATOM 0 H GLN A 31 -13.157 -13.865 3.016 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.237 -11.621 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.720 -12.207 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.340 -11.136 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.482 -9.335 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.722 -10.384 2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.692 -11.849 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.327 -10.819 5.806 1.00 0.00 H new ATOM 533 N TRP A 32 -12.066 -10.238 1.572 1.00 0.00 N ATOM 534 CA TRP A 32 -10.759 -9.641 1.314 1.00 0.00 C ATOM 535 C TRP A 32 -10.837 -8.116 1.299 1.00 0.00 C ATOM 536 O TRP A 32 -11.813 -7.539 0.814 1.00 0.00 O ATOM 537 CB TRP A 32 -10.183 -10.147 -0.014 1.00 0.00 C ATOM 538 CG TRP A 32 -11.163 -10.130 -1.152 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.302 -10.875 -1.267 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.084 -9.333 -2.339 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.938 -10.585 -2.448 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.208 -9.644 -3.127 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.172 -8.385 -2.813 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.444 -9.042 -4.360 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.408 -7.788 -4.037 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.536 -8.119 -4.798 1.00 0.00 C ATOM 0 H TRP A 32 -12.855 -9.620 1.381 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.097 -9.942 2.125 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.321 -9.535 -0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.820 -11.165 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.651 -11.588 -0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.812 -11.002 -2.769 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.299 -8.124 -2.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.313 -9.295 -4.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -9.711 -7.054 -4.413 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.692 -7.635 -5.751 1.00 0.00 H new ATOM 557 N SER A 33 -9.801 -7.471 1.836 1.00 0.00 N ATOM 558 CA SER A 33 -9.742 -6.013 1.892 1.00 0.00 C ATOM 559 C SER A 33 -8.316 -5.515 1.662 1.00 0.00 C ATOM 560 O SER A 33 -7.369 -6.040 2.250 1.00 0.00 O ATOM 561 CB SER A 33 -10.250 -5.508 3.248 1.00 0.00 C ATOM 562 OG SER A 33 -11.152 -6.428 3.844 1.00 0.00 O ATOM 0 H SER A 33 -8.989 -7.939 2.239 1.00 0.00 H new ATOM 0 HA SER A 33 -10.381 -5.622 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.404 -5.343 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.745 -4.546 3.116 1.00 0.00 H new ATOM 0 HG SER A 33 -11.455 -6.076 4.707 1.00 0.00 H new ATOM 568 N ILE A 34 -8.173 -4.502 0.807 1.00 0.00 N ATOM 569 CA ILE A 34 -6.862 -3.934 0.505 1.00 0.00 C ATOM 570 C ILE A 34 -6.955 -2.428 0.249 1.00 0.00 C ATOM 571 O ILE A 34 -7.693 -1.981 -0.632 1.00 0.00 O ATOM 572 CB ILE A 34 -6.208 -4.627 -0.714 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.771 -4.128 -0.904 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.031 -4.398 -1.977 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.763 -4.845 -0.033 1.00 0.00 C ATOM 0 H ILE A 34 -8.948 -4.060 0.313 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.235 -4.106 1.380 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.179 -5.700 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.488 -4.250 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.734 -3.061 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.550 -4.895 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.032 -4.806 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.100 -3.329 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.768 -4.441 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.022 -4.702 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.772 -5.910 -0.267 1.00 0.00 H new ATOM 587 N GLU A 35 -6.200 -1.653 1.027 1.00 0.00 N ATOM 588 CA GLU A 35 -6.190 -0.198 0.886 1.00 0.00 C ATOM 589 C GLU A 35 -4.760 0.341 0.856 1.00 0.00 C ATOM 590 O GLU A 35 -3.893 -0.130 1.597 1.00 0.00 O ATOM 591 CB GLU A 35 -6.980 0.456 2.021 1.00 0.00 C ATOM 592 CG GLU A 35 -6.381 0.221 3.400 1.00 0.00 C ATOM 593 CD GLU A 35 -6.135 1.511 4.159 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.101 2.049 4.741 1.00 0.00 O ATOM 595 OE2 GLU A 35 -4.979 1.980 4.174 1.00 0.00 O ATOM 0 H GLU A 35 -5.588 -2.009 1.761 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.667 0.051 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.039 1.529 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.001 0.074 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.051 -0.414 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.440 -0.319 3.296 1.00 0.00 H new ATOM 602 N ILE A 36 -4.523 1.324 -0.010 1.00 0.00 N ATOM 603 CA ILE A 36 -3.202 1.931 -0.153 1.00 0.00 C ATOM 604 C ILE A 36 -3.281 3.449 0.014 1.00 0.00 C ATOM 605 O ILE A 36 -3.863 4.144 -0.823 1.00 0.00 O ATOM 606 CB ILE A 36 -2.583 1.602 -1.530 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.643 0.094 -1.802 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.147 2.103 -1.608 1.00 0.00 C ATOM 609 CD1 ILE A 36 -3.270 -0.256 -3.134 1.00 0.00 C ATOM 0 H ILE A 36 -5.233 1.719 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.567 1.515 0.629 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.165 2.113 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.633 -0.314 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.209 -0.388 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.730 1.861 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.130 3.183 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.552 1.624 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.279 -1.339 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.292 0.121 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.691 0.197 -3.939 1.00 0.00 H new ATOM 621 N VAL A 37 -2.698 3.956 1.102 1.00 0.00 N ATOM 622 CA VAL A 37 -2.708 5.392 1.382 1.00 0.00 C ATOM 623 C VAL A 37 -1.291 5.946 1.528 1.00 0.00 C ATOM 624 O VAL A 37 -0.350 5.203 1.823 1.00 0.00 O ATOM 625 CB VAL A 37 -3.514 5.712 2.657 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.980 5.354 2.464 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.935 4.984 3.863 1.00 0.00 C ATOM 0 H VAL A 37 -2.214 3.394 1.802 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.188 5.872 0.529 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.443 6.783 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.534 5.586 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.389 5.929 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.069 4.290 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.521 5.226 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.968 3.908 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.902 5.296 4.015 1.00 0.00 H new ATOM 637 N LEU A 38 -1.146 7.258 1.318 1.00 0.00 N ATOM 638 CA LEU A 38 0.155 7.918 1.419 1.00 0.00 C ATOM 639 C LEU A 38 0.021 9.441 1.338 1.00 0.00 C ATOM 640 O LEU A 38 -1.061 9.965 1.062 1.00 0.00 O ATOM 641 CB LEU A 38 1.091 7.415 0.312 1.00 0.00 C ATOM 642 CG LEU A 38 0.413 7.129 -1.035 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.975 8.031 -2.121 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.573 5.663 -1.414 1.00 0.00 C ATOM 0 H LEU A 38 -1.916 7.883 1.077 1.00 0.00 H new ATOM 0 HA LEU A 38 0.579 7.669 2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.875 8.156 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.578 6.503 0.657 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.651 7.341 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.481 7.812 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.802 9.073 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.046 7.855 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.086 5.480 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.633 5.421 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.115 5.037 -0.648 1.00 0.00 H new ATOM 656 N LEU A 39 1.130 10.146 1.576 1.00 0.00 N ATOM 657 CA LEU A 39 1.139 11.607 1.527 1.00 0.00 C ATOM 658 C LEU A 39 1.677 12.112 0.191 1.00 0.00 C ATOM 659 O LEU A 39 2.276 11.358 -0.579 1.00 0.00 O ATOM 660 CB LEU A 39 1.975 12.187 2.673 1.00 0.00 C ATOM 661 CG LEU A 39 1.606 11.683 4.072 1.00 0.00 C ATOM 662 CD1 LEU A 39 2.465 12.361 5.129 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.127 11.919 4.355 1.00 0.00 C ATOM 0 H LEU A 39 2.032 9.727 1.804 1.00 0.00 H new ATOM 0 HA LEU A 39 0.108 11.942 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.024 11.958 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.878 13.273 2.658 1.00 0.00 H new ATOM 0 HG LEU A 39 1.796 10.610 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.188 11.990 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.516 12.141 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.308 13.439 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.115 11.554 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.089 12.986 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.474 11.386 3.618 1.00 0.00 H new ATOM 675 N ASP A 40 1.458 13.399 -0.071 1.00 0.00 N ATOM 676 CA ASP A 40 1.910 14.030 -1.306 1.00 0.00 C ATOM 677 C ASP A 40 1.834 15.549 -1.190 1.00 0.00 C ATOM 678 O ASP A 40 2.794 16.253 -1.506 1.00 0.00 O ATOM 679 CB ASP A 40 1.057 13.562 -2.488 1.00 0.00 C ATOM 680 CG ASP A 40 1.605 14.035 -3.823 1.00 0.00 C ATOM 681 OD1 ASP A 40 2.705 13.583 -4.208 1.00 0.00 O ATOM 682 OD2 ASP A 40 0.936 14.860 -4.478 1.00 0.00 O ATOM 0 H ASP A 40 0.966 14.029 0.563 1.00 0.00 H new ATOM 0 HA ASP A 40 2.946 13.739 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.004 12.473 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.039 13.931 -2.366 1.00 0.00 H new ATOM 687 N ASP A 41 0.681 16.042 -0.730 1.00 0.00 N ATOM 688 CA ASP A 41 0.460 17.476 -0.562 1.00 0.00 C ATOM 689 C ASP A 41 1.124 18.016 0.707 1.00 0.00 C ATOM 690 O ASP A 41 1.197 19.231 0.901 1.00 0.00 O ATOM 691 CB ASP A 41 -1.037 17.779 -0.515 1.00 0.00 C ATOM 692 CG ASP A 41 -1.343 19.209 -0.911 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.553 19.459 -2.113 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.371 20.078 -0.018 1.00 0.00 O ATOM 0 H ASP A 41 -0.116 15.463 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 41 0.914 17.972 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.565 17.098 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.412 17.594 0.492 1.00 0.00 H new ATOM 699 N GLU A 42 1.606 17.122 1.570 1.00 0.00 N ATOM 700 CA GLU A 42 2.256 17.535 2.808 1.00 0.00 C ATOM 701 C GLU A 42 3.772 17.421 2.691 1.00 0.00 C ATOM 702 O GLU A 42 4.509 18.259 3.216 1.00 0.00 O ATOM 703 CB GLU A 42 1.756 16.680 3.974 1.00 0.00 C ATOM 704 CG GLU A 42 0.472 17.206 4.594 1.00 0.00 C ATOM 705 CD GLU A 42 -0.693 16.243 4.449 1.00 0.00 C ATOM 706 OE1 GLU A 42 -0.880 15.692 3.341 1.00 0.00 O ATOM 707 OE2 GLU A 42 -1.418 16.040 5.445 1.00 0.00 O ATOM 0 H GLU A 42 1.558 16.112 1.433 1.00 0.00 H new ATOM 0 HA GLU A 42 2.004 18.579 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.592 15.661 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.530 16.634 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.641 17.407 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.212 18.156 4.127 1.00 0.00 H new ATOM 714 N GLY A 43 4.231 16.382 1.993 1.00 0.00 N ATOM 715 CA GLY A 43 5.654 16.176 1.814 1.00 0.00 C ATOM 716 C GLY A 43 6.121 16.513 0.414 1.00 0.00 C ATOM 717 O GLY A 43 6.821 15.718 -0.210 1.00 0.00 O ATOM 0 H GLY A 43 3.639 15.680 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.199 16.789 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.897 15.136 2.033 1.00 0.00 H new ATOM 721 N LYS A 44 5.740 17.696 -0.072 1.00 0.00 N ATOM 722 CA LYS A 44 6.122 18.156 -1.405 1.00 0.00 C ATOM 723 C LYS A 44 5.564 17.238 -2.495 1.00 0.00 C ATOM 724 O LYS A 44 5.900 16.055 -2.564 1.00 0.00 O ATOM 725 CB LYS A 44 7.643 18.246 -1.521 1.00 0.00 C ATOM 726 CG LYS A 44 8.170 19.668 -1.422 1.00 0.00 C ATOM 727 CD LYS A 44 9.689 19.700 -1.364 1.00 0.00 C ATOM 728 CE LYS A 44 10.291 20.056 -2.716 1.00 0.00 C ATOM 729 NZ LYS A 44 10.473 18.855 -3.580 1.00 0.00 N ATOM 0 H LYS A 44 5.161 18.358 0.445 1.00 0.00 H new ATOM 0 HA LYS A 44 5.694 19.148 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.097 17.642 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.954 17.816 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.826 20.245 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.761 20.147 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.011 20.427 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.063 18.728 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.645 20.773 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.254 20.545 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.932 19.134 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.069 18.160 -3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.546 18.432 -3.786 1.00 0.00 H new ATOM 743 N GLU A 45 4.711 17.794 -3.351 1.00 0.00 N ATOM 744 CA GLU A 45 4.109 17.024 -4.438 1.00 0.00 C ATOM 745 C GLU A 45 4.962 17.096 -5.716 1.00 0.00 C ATOM 746 O GLU A 45 4.432 17.069 -6.829 1.00 0.00 O ATOM 747 CB GLU A 45 2.686 17.526 -4.718 1.00 0.00 C ATOM 748 CG GLU A 45 2.608 19.005 -5.085 1.00 0.00 C ATOM 749 CD GLU A 45 2.231 19.243 -6.539 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.337 18.537 -7.052 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.829 20.145 -7.163 1.00 0.00 O ATOM 0 H GLU A 45 4.421 18.771 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 45 4.064 15.981 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.258 16.938 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.070 17.348 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.876 19.494 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.572 19.474 -4.885 1.00 0.00 H new ATOM 758 N ILE A 46 6.285 17.184 -5.549 1.00 0.00 N ATOM 759 CA ILE A 46 7.203 17.260 -6.682 1.00 0.00 C ATOM 760 C ILE A 46 8.295 16.192 -6.581 1.00 0.00 C ATOM 761 O ILE A 46 8.918 16.032 -5.526 1.00 0.00 O ATOM 762 CB ILE A 46 7.874 18.649 -6.774 1.00 0.00 C ATOM 763 CG1 ILE A 46 6.830 19.771 -6.699 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.685 18.761 -8.055 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.183 20.861 -5.709 1.00 0.00 C ATOM 0 H ILE A 46 6.742 17.204 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 46 6.608 17.089 -7.579 1.00 0.00 H new ATOM 0 HB ILE A 46 8.547 18.758 -5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.713 20.214 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.866 19.342 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.151 19.745 -8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.458 17.992 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.028 18.626 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.401 21.620 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.271 20.431 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.131 21.317 -5.993 1.00 0.00 H new ATOM 777 N PRO A 47 8.547 15.447 -7.681 1.00 0.00 N ATOM 778 CA PRO A 47 9.574 14.395 -7.712 1.00 0.00 C ATOM 779 C PRO A 47 10.996 14.961 -7.740 1.00 0.00 C ATOM 780 O PRO A 47 11.208 16.113 -8.126 1.00 0.00 O ATOM 781 CB PRO A 47 9.271 13.648 -9.013 1.00 0.00 C ATOM 782 CG PRO A 47 8.627 14.667 -9.891 1.00 0.00 C ATOM 783 CD PRO A 47 7.849 15.575 -8.978 1.00 0.00 C ATOM 0 HA PRO A 47 9.540 13.767 -6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.181 13.254 -9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.609 12.800 -8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.376 15.227 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.971 14.193 -10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.855 16.604 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.805 15.270 -8.903 1.00 0.00 H new ATOM 791 N ALA A 48 11.969 14.140 -7.331 1.00 0.00 N ATOM 792 CA ALA A 48 13.372 14.555 -7.311 1.00 0.00 C ATOM 793 C ALA A 48 14.233 13.647 -8.189 1.00 0.00 C ATOM 794 O ALA A 48 14.644 14.040 -9.280 1.00 0.00 O ATOM 795 CB ALA A 48 13.898 14.580 -5.881 1.00 0.00 C ATOM 0 H ALA A 48 11.809 13.185 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 48 13.431 15.563 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.943 14.891 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.312 15.283 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.816 13.584 -5.446 1.00 0.00 H new ATOM 801 N THR A 49 14.500 12.430 -7.709 1.00 0.00 N ATOM 802 CA THR A 49 15.309 11.469 -8.457 1.00 0.00 C ATOM 803 C THR A 49 14.440 10.338 -9.000 1.00 0.00 C ATOM 804 O THR A 49 14.359 10.137 -10.212 1.00 0.00 O ATOM 805 CB THR A 49 16.432 10.902 -7.578 1.00 0.00 C ATOM 806 OG1 THR A 49 17.151 11.945 -6.942 1.00 0.00 O ATOM 807 CG2 THR A 49 17.434 10.063 -8.345 1.00 0.00 C ATOM 0 H THR A 49 14.168 12.089 -6.807 1.00 0.00 H new ATOM 0 HA THR A 49 15.761 11.993 -9.299 1.00 0.00 H new ATOM 0 HB THR A 49 15.928 10.265 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.953 11.577 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.199 9.695 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.923 9.218 -8.807 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.901 10.672 -9.119 1.00 0.00 H new ATOM 815 N ILE A 50 13.784 9.606 -8.100 1.00 0.00 N ATOM 816 CA ILE A 50 12.914 8.505 -8.500 1.00 0.00 C ATOM 817 C ILE A 50 11.478 8.751 -8.034 1.00 0.00 C ATOM 818 O ILE A 50 10.659 9.255 -8.803 1.00 0.00 O ATOM 819 CB ILE A 50 13.422 7.145 -7.965 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.837 6.865 -8.476 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.478 6.021 -8.379 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.456 5.614 -7.889 1.00 0.00 C ATOM 0 H ILE A 50 13.839 9.756 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 50 12.931 8.462 -9.589 1.00 0.00 H new ATOM 0 HB ILE A 50 13.448 7.192 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.811 6.772 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.474 7.719 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.851 5.072 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.485 6.212 -7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.422 5.975 -9.467 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.458 5.478 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.515 5.711 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.841 4.750 -8.143 1.00 0.00 H new ATOM 834 N PHE A 51 11.179 8.404 -6.773 1.00 0.00 N ATOM 835 CA PHE A 51 9.844 8.596 -6.205 1.00 0.00 C ATOM 836 C PHE A 51 8.772 7.908 -7.054 1.00 0.00 C ATOM 837 O PHE A 51 8.293 8.461 -8.047 1.00 0.00 O ATOM 838 CB PHE A 51 9.543 10.093 -6.048 1.00 0.00 C ATOM 839 CG PHE A 51 8.105 10.406 -5.709 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.433 9.689 -4.727 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.430 11.418 -6.372 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.116 9.977 -4.417 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.113 11.709 -6.065 1.00 0.00 C ATOM 844 CZ PHE A 51 5.455 10.988 -5.087 1.00 0.00 C ATOM 0 H PHE A 51 11.850 7.987 -6.128 1.00 0.00 H new ATOM 0 HA PHE A 51 9.825 8.133 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.185 10.501 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.805 10.603 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.945 8.898 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.938 11.986 -7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.605 9.412 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.599 12.500 -6.590 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.427 11.214 -4.847 1.00 0.00 H new ATOM 854 N ASP A 52 8.396 6.700 -6.644 1.00 0.00 N ATOM 855 CA ASP A 52 7.378 5.922 -7.344 1.00 0.00 C ATOM 856 C ASP A 52 6.955 4.726 -6.501 1.00 0.00 C ATOM 857 O ASP A 52 7.777 3.872 -6.164 1.00 0.00 O ATOM 858 CB ASP A 52 7.890 5.446 -8.708 1.00 0.00 C ATOM 859 CG ASP A 52 6.806 5.469 -9.770 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.359 6.575 -10.139 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.401 4.379 -10.231 1.00 0.00 O ATOM 0 H ASP A 52 8.785 6.235 -5.823 1.00 0.00 H new ATOM 0 HA ASP A 52 6.515 6.567 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.719 6.080 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.281 4.433 -8.613 1.00 0.00 H new ATOM 866 N LYS A 53 5.675 4.671 -6.158 1.00 0.00 N ATOM 867 CA LYS A 53 5.150 3.581 -5.348 1.00 0.00 C ATOM 868 C LYS A 53 4.247 2.683 -6.183 1.00 0.00 C ATOM 869 O LYS A 53 3.251 3.140 -6.744 1.00 0.00 O ATOM 870 CB LYS A 53 4.385 4.131 -4.141 1.00 0.00 C ATOM 871 CG LYS A 53 5.187 5.116 -3.300 1.00 0.00 C ATOM 872 CD LYS A 53 5.024 6.548 -3.789 1.00 0.00 C ATOM 873 CE LYS A 53 3.646 7.099 -3.456 1.00 0.00 C ATOM 874 NZ LYS A 53 3.188 8.110 -4.453 1.00 0.00 N ATOM 0 H LYS A 53 4.982 5.368 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 53 5.989 2.987 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.477 4.622 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.074 3.298 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.867 5.049 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.241 4.841 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.788 7.178 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.181 6.585 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.929 6.279 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.667 7.552 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.155 8.052 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.450 9.062 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.639 7.921 -5.371 1.00 0.00 H new ATOM 888 N VAL A 54 4.606 1.405 -6.269 1.00 0.00 N ATOM 889 CA VAL A 54 3.835 0.440 -7.046 1.00 0.00 C ATOM 890 C VAL A 54 3.332 -0.699 -6.164 1.00 0.00 C ATOM 891 O VAL A 54 4.125 -1.469 -5.616 1.00 0.00 O ATOM 892 CB VAL A 54 4.668 -0.144 -8.207 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.773 -0.864 -9.204 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.475 0.950 -8.898 1.00 0.00 C ATOM 0 H VAL A 54 5.428 1.013 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 54 2.981 0.976 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 54 5.367 -0.870 -7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.381 -1.268 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.251 -1.678 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.045 -0.163 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.054 0.515 -9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.798 1.705 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.151 1.413 -8.179 1.00 0.00 H new ATOM 904 N ILE A 55 2.011 -0.801 -6.031 1.00 0.00 N ATOM 905 CA ILE A 55 1.402 -1.846 -5.216 1.00 0.00 C ATOM 906 C ILE A 55 1.027 -3.060 -6.059 1.00 0.00 C ATOM 907 O ILE A 55 0.676 -2.931 -7.236 1.00 0.00 O ATOM 908 CB ILE A 55 0.142 -1.344 -4.481 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.399 0.023 -3.836 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.295 -2.361 -3.434 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.258 1.170 -4.572 1.00 0.00 C ATOM 0 H ILE A 55 1.343 -0.172 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 55 2.152 -2.132 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.661 -1.227 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.036 0.005 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.474 0.199 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.185 -1.996 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.520 -3.310 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.507 -2.505 -2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.034 2.106 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.123 1.214 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.337 1.018 -4.594 1.00 0.00 H new ATOM 923 N TYR A 56 1.101 -4.235 -5.446 1.00 0.00 N ATOM 924 CA TYR A 56 0.773 -5.481 -6.124 1.00 0.00 C ATOM 925 C TYR A 56 -0.016 -6.402 -5.201 1.00 0.00 C ATOM 926 O TYR A 56 0.350 -6.599 -4.042 1.00 0.00 O ATOM 927 CB TYR A 56 2.053 -6.169 -6.603 1.00 0.00 C ATOM 928 CG TYR A 56 1.822 -7.516 -7.249 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.347 -7.612 -8.551 1.00 0.00 C ATOM 930 CD2 TYR A 56 2.080 -8.692 -6.555 1.00 0.00 C ATOM 931 CE1 TYR A 56 1.138 -8.842 -9.143 1.00 0.00 C ATOM 932 CE2 TYR A 56 1.873 -9.924 -7.140 1.00 0.00 C ATOM 933 CZ TYR A 56 1.403 -9.994 -8.432 1.00 0.00 C ATOM 934 OH TYR A 56 1.200 -11.219 -9.016 1.00 0.00 O ATOM 0 H TYR A 56 1.387 -4.350 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 56 0.151 -5.255 -6.990 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.559 -5.518 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.725 -6.295 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.138 -6.711 -9.109 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.449 -8.641 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.769 -8.902 -10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.079 -10.829 -6.587 1.00 0.00 H new ATOM 0 HH TYR A 56 0.333 -11.577 -8.733 1.00 0.00 H new ATOM 944 N HIS A 57 -1.105 -6.957 -5.721 1.00 0.00 N ATOM 945 CA HIS A 57 -1.951 -7.854 -4.942 1.00 0.00 C ATOM 946 C HIS A 57 -2.671 -8.844 -5.849 1.00 0.00 C ATOM 947 O HIS A 57 -3.090 -8.492 -6.955 1.00 0.00 O ATOM 948 CB HIS A 57 -2.966 -7.054 -4.117 1.00 0.00 C ATOM 949 CG HIS A 57 -3.789 -6.093 -4.923 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.281 -4.926 -5.454 1.00 0.00 N ATOM 951 CD2 HIS A 57 -5.096 -6.128 -5.278 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.238 -4.285 -6.098 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.348 -4.993 -6.008 1.00 0.00 N ATOM 0 H HIS A 57 -1.423 -6.802 -6.678 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.312 -8.415 -4.260 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.634 -7.750 -3.608 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.434 -6.500 -3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.807 -6.903 -5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.131 -3.341 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.248 -4.738 -6.415 1.00 0.00 H new ATOM 962 N LEU A 58 -2.806 -10.085 -5.370 1.00 0.00 N ATOM 963 CA LEU A 58 -3.471 -11.148 -6.121 1.00 0.00 C ATOM 964 C LEU A 58 -2.576 -11.664 -7.251 1.00 0.00 C ATOM 965 O LEU A 58 -1.503 -11.113 -7.509 1.00 0.00 O ATOM 966 CB LEU A 58 -4.811 -10.655 -6.685 1.00 0.00 C ATOM 967 CG LEU A 58 -6.032 -11.497 -6.301 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.637 -10.997 -4.998 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.070 -11.474 -7.414 1.00 0.00 C ATOM 0 H LEU A 58 -2.459 -10.377 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.664 -11.973 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.975 -9.632 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.739 -10.623 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.706 -12.527 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.503 -11.607 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.895 -11.067 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.947 -9.959 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.929 -12.078 -7.122 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.391 -10.447 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.634 -11.880 -8.327 1.00 0.00 H new ATOM 1071 N PRO A 65 -1.557 -3.879 -12.354 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.465 -3.738 -10.893 1.00 0.00 C ATOM 1073 C PRO A 65 -1.759 -2.311 -10.423 1.00 0.00 C ATOM 1074 O PRO A 65 -2.195 -1.466 -11.208 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.012 -4.116 -10.597 1.00 0.00 C ATOM 1076 CG PRO A 65 0.727 -3.760 -11.839 1.00 0.00 C ATOM 1077 CD PRO A 65 -0.224 -4.020 -12.977 1.00 0.00 C ATOM 0 HA PRO A 65 -2.196 -4.358 -10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.373 -3.569 -9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.083 -5.178 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.039 -2.716 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.631 -4.361 -11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.083 -3.306 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.082 -5.015 -13.399 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.522 -2.051 -9.135 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.766 -0.730 -8.562 1.00 0.00 C ATOM 1087 C ASN A 66 -0.542 0.172 -8.707 1.00 0.00 C ATOM 1088 O ASN A 66 0.598 -0.285 -8.603 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.161 -0.855 -7.088 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.625 -0.534 -6.849 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.513 -1.220 -7.356 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -3.887 0.513 -6.074 1.00 0.00 N ATOM 0 H ASN A 66 -1.162 -2.738 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.588 -0.272 -9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.954 -1.869 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.543 -0.184 -6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.854 0.775 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.122 1.055 -5.673 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.791 1.461 -8.947 1.00 0.00 N ATOM 1100 CA ARG A 67 0.278 2.443 -9.110 1.00 0.00 C ATOM 1101 C ARG A 67 -0.005 3.694 -8.283 1.00 0.00 C ATOM 1102 O ARG A 67 -1.161 4.085 -8.111 1.00 0.00 O ATOM 1103 CB ARG A 67 0.432 2.837 -10.582 1.00 0.00 C ATOM 1104 CG ARG A 67 0.524 1.657 -11.537 1.00 0.00 C ATOM 1105 CD ARG A 67 1.826 0.893 -11.361 1.00 0.00 C ATOM 1106 NE ARG A 67 2.996 1.706 -11.703 1.00 0.00 N ATOM 1107 CZ ARG A 67 4.029 1.271 -12.434 1.00 0.00 C ATOM 1108 NH1 ARG A 67 4.053 0.027 -12.909 1.00 0.00 N ATOM 1109 NH2 ARG A 67 5.048 2.085 -12.688 1.00 0.00 N ATOM 0 H ARG A 67 -1.730 1.849 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 67 1.203 1.984 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.416 3.458 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.327 3.449 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.318 0.986 -11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.447 2.013 -12.564 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.910 0.555 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.810 0.001 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 67 3.025 2.667 -11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.278 -0.607 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.847 -0.291 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.041 3.039 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.837 1.756 -13.245 1.00 0.00 H new ATOM 1123 N THR A 68 1.054 4.322 -7.777 1.00 0.00 N ATOM 1124 CA THR A 68 0.914 5.533 -6.973 1.00 0.00 C ATOM 1125 C THR A 68 1.968 6.563 -7.356 1.00 0.00 C ATOM 1126 O THR A 68 3.169 6.330 -7.191 1.00 0.00 O ATOM 1127 CB THR A 68 1.016 5.220 -5.476 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.105 3.825 -5.240 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.160 5.750 -4.683 1.00 0.00 C ATOM 0 H THR A 68 2.017 4.013 -7.909 1.00 0.00 H new ATOM 0 HA THR A 68 -0.074 5.946 -7.175 1.00 0.00 H new ATOM 0 HB THR A 68 1.925 5.721 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.906 3.469 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.032 5.498 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.214 6.833 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.081 5.301 -5.054 1.00 0.00 H new ATOM 1137 N PHE A 69 1.508 7.702 -7.862 1.00 0.00 N ATOM 1138 CA PHE A 69 2.404 8.783 -8.272 1.00 0.00 C ATOM 1139 C PHE A 69 1.642 10.102 -8.405 1.00 0.00 C ATOM 1140 O PHE A 69 2.098 11.142 -7.924 1.00 0.00 O ATOM 1141 CB PHE A 69 3.112 8.433 -9.590 1.00 0.00 C ATOM 1142 CG PHE A 69 2.184 8.109 -10.733 1.00 0.00 C ATOM 1143 CD1 PHE A 69 1.346 7.004 -10.677 1.00 0.00 C ATOM 1144 CD2 PHE A 69 2.148 8.912 -11.862 1.00 0.00 C ATOM 1145 CE1 PHE A 69 0.494 6.709 -11.723 1.00 0.00 C ATOM 1146 CE2 PHE A 69 1.297 8.621 -12.910 1.00 0.00 C ATOM 1147 CZ PHE A 69 0.468 7.520 -12.840 1.00 0.00 C ATOM 0 H PHE A 69 0.518 7.903 -7.999 1.00 0.00 H new ATOM 0 HA PHE A 69 3.162 8.904 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.746 9.271 -9.880 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.769 7.580 -9.419 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.360 6.367 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.793 9.776 -11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.151 5.845 -11.667 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.280 9.255 -13.784 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.200 7.293 -13.658 1.00 0.00 H new ATOM 1157 N THR A 70 0.478 10.049 -9.057 1.00 0.00 N ATOM 1158 CA THR A 70 -0.359 11.231 -9.253 1.00 0.00 C ATOM 1159 C THR A 70 -1.847 10.880 -9.101 1.00 0.00 C ATOM 1160 O THR A 70 -2.715 11.530 -9.691 1.00 0.00 O ATOM 1161 CB THR A 70 -0.084 11.837 -10.635 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.739 13.084 -10.782 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.522 10.951 -11.785 1.00 0.00 C ATOM 0 H THR A 70 0.094 9.194 -9.459 1.00 0.00 H new ATOM 0 HA THR A 70 -0.111 11.967 -8.488 1.00 0.00 H new ATOM 0 HB THR A 70 0.999 11.952 -10.680 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.657 13.013 -10.447 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.296 11.444 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.010 10.001 -11.735 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.595 10.770 -11.717 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.134 9.847 -8.305 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.507 9.404 -8.078 1.00 0.00 C ATOM 1173 C ASP A 71 -3.824 9.329 -6.584 1.00 0.00 C ATOM 1174 O ASP A 71 -2.918 9.214 -5.755 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.726 8.032 -8.726 1.00 0.00 C ATOM 1176 CG ASP A 71 -3.986 8.126 -10.219 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.106 8.631 -10.948 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.069 7.687 -10.660 1.00 0.00 O ATOM 0 H ASP A 71 -1.430 9.302 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.178 10.133 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.849 7.408 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.570 7.537 -8.244 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.123 9.390 -6.224 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.568 9.325 -4.824 1.00 0.00 C ATOM 1185 C PRO A 72 -5.388 7.927 -4.226 1.00 0.00 C ATOM 1186 O PRO A 72 -5.086 6.971 -4.944 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.055 9.686 -4.908 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.463 9.290 -6.284 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.261 9.526 -7.157 1.00 0.00 C ATOM 0 HA PRO A 72 -4.992 9.988 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.635 9.153 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.214 10.751 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.768 8.244 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.314 9.880 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.205 8.799 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.287 10.514 -7.617 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.575 7.788 -2.898 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.431 6.497 -2.206 1.00 0.00 C ATOM 1199 C PRO A 73 -6.474 5.473 -2.659 1.00 0.00 C ATOM 1200 O PRO A 73 -7.528 5.837 -3.185 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.636 6.851 -0.730 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.400 8.130 -0.746 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.938 8.872 -1.967 1.00 0.00 C ATOM 0 HA PRO A 73 -4.467 6.033 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.187 6.068 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.682 6.967 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.473 7.943 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.210 8.709 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.724 9.507 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.088 9.518 -1.749 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.170 4.191 -2.451 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.077 3.112 -2.837 1.00 0.00 C ATOM 1213 C PHE A 74 -7.613 2.369 -1.614 1.00 0.00 C ATOM 1214 O PHE A 74 -7.007 2.402 -0.542 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.362 2.131 -3.771 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.818 2.221 -5.201 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -6.725 3.416 -5.897 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -7.336 1.112 -5.849 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.142 3.502 -7.211 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -7.755 1.192 -7.162 1.00 0.00 C ATOM 1221 CZ PHE A 74 -7.657 2.389 -7.845 1.00 0.00 C ATOM 0 H PHE A 74 -5.302 3.876 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.923 3.558 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.289 2.318 -3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.523 1.115 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.322 4.290 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.413 0.173 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.065 4.439 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.159 0.320 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.983 2.454 -8.873 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.753 1.696 -1.788 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.382 0.936 -0.707 1.00 0.00 C ATOM 1233 C ARG A 75 -10.549 0.104 -1.238 1.00 0.00 C ATOM 1234 O ARG A 75 -11.626 0.637 -1.517 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.872 1.877 0.398 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.393 1.152 1.630 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.007 1.878 2.908 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.854 1.492 4.035 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.701 0.362 4.733 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -9.734 -0.500 4.422 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.517 0.093 5.747 1.00 0.00 N ATOM 0 H ARG A 75 -9.261 1.663 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.634 0.262 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.054 2.535 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.663 2.512 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.478 1.067 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.995 0.138 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.966 1.662 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.082 2.954 2.750 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.608 2.123 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.103 -0.300 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.625 -1.360 4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.259 0.748 5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.401 -0.769 6.280 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.329 -1.203 -1.382 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.363 -2.106 -1.884 1.00 0.00 C ATOM 1257 C ILE A 76 -11.588 -3.270 -0.923 1.00 0.00 C ATOM 1258 O ILE A 76 -10.653 -4.005 -0.597 1.00 0.00 O ATOM 1259 CB ILE A 76 -11.004 -2.670 -3.276 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.553 -1.547 -4.218 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -12.194 -3.417 -3.866 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.056 -1.321 -4.216 1.00 0.00 C ATOM 0 H ILE A 76 -9.445 -1.659 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.277 -1.518 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.176 -3.369 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.875 -1.783 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.052 -0.621 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.927 -3.809 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.469 -4.241 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.039 -2.735 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.809 -0.513 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.730 -1.054 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.550 -2.233 -4.531 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.834 -3.434 -0.477 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.184 -4.513 0.442 1.00 0.00 C ATOM 1276 C GLU A 77 -14.517 -5.150 0.053 1.00 0.00 C ATOM 1277 O GLU A 77 -15.567 -4.503 0.113 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.242 -3.993 1.883 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.222 -2.843 2.088 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.594 -1.641 2.773 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -12.890 -1.832 3.788 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -13.809 -0.508 2.295 1.00 0.00 O ATOM 0 H GLU A 77 -13.616 -2.833 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.409 -5.277 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.518 -4.814 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.246 -3.665 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.620 -2.536 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.065 -3.194 2.683 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.471 -6.418 -0.351 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.677 -7.138 -0.752 1.00 0.00 C ATOM 1291 C GLU A 78 -15.521 -8.645 -0.533 1.00 0.00 C ATOM 1292 O GLU A 78 -14.471 -9.114 -0.085 1.00 0.00 O ATOM 1293 CB GLU A 78 -16.004 -6.846 -2.221 1.00 0.00 C ATOM 1294 CG GLU A 78 -14.908 -7.266 -3.189 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.203 -6.870 -4.624 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -15.431 -5.668 -4.878 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -15.206 -7.764 -5.495 1.00 0.00 O ATOM 0 H GLU A 78 -13.613 -6.967 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.501 -6.791 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.928 -7.360 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.189 -5.778 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.965 -6.815 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.778 -8.347 -3.135 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.577 -9.395 -0.848 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.570 -10.848 -0.689 1.00 0.00 C ATOM 1306 C GLN A 79 -16.442 -11.543 -2.043 1.00 0.00 C ATOM 1307 O GLN A 79 -17.064 -11.128 -3.023 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.850 -11.313 0.012 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.269 -10.433 1.182 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.030 -11.198 2.251 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.152 -10.837 2.605 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -18.424 -12.260 2.771 1.00 0.00 N ATOM 0 H GLN A 79 -17.451 -9.018 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.709 -11.116 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.661 -11.342 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.706 -12.332 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.382 -9.981 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.891 -9.618 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.493 -12.525 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.890 -12.811 3.492 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.636 -12.603 -2.089 1.00 0.00 N ATOM 1322 CA GLY A 80 -15.443 -13.341 -3.327 1.00 0.00 C ATOM 1323 C GLY A 80 -14.533 -14.545 -3.161 1.00 0.00 C ATOM 1324 O GLY A 80 -14.145 -14.889 -2.042 1.00 0.00 O ATOM 0 H GLY A 80 -15.113 -12.963 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.412 -13.673 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.022 -12.674 -4.080 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.194 -15.191 -4.278 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.325 -16.367 -4.251 1.00 0.00 C ATOM 1330 C TRP A 81 -11.980 -16.058 -4.906 1.00 0.00 C ATOM 1331 O TRP A 81 -11.900 -15.885 -6.124 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.994 -17.548 -4.970 1.00 0.00 C ATOM 1333 CG TRP A 81 -15.427 -17.770 -4.578 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -16.016 -17.443 -3.390 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -16.452 -18.372 -5.380 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -17.341 -17.799 -3.406 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -17.634 -18.375 -4.614 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -16.486 -18.910 -6.669 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -18.834 -18.891 -5.096 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -17.679 -19.422 -7.148 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -18.839 -19.409 -6.362 1.00 0.00 C ATOM 0 H TRP A 81 -14.507 -14.920 -5.210 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.155 -16.637 -3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.944 -17.380 -6.046 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -13.427 -18.455 -4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.512 -16.973 -2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -18.001 -17.658 -2.642 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -15.596 -18.926 -7.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -19.729 -18.883 -4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -17.717 -19.838 -8.144 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -19.755 -19.816 -6.764 1.00 0.00 H new ATOM 1352 N GLY A 82 -10.929 -15.991 -4.089 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.598 -15.705 -4.597 1.00 0.00 C ATOM 1354 C GLY A 82 -8.508 -16.257 -3.699 1.00 0.00 C ATOM 1355 O GLY A 82 -8.412 -17.471 -3.508 1.00 0.00 O ATOM 0 H GLY A 82 -10.978 -16.131 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.493 -16.130 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.473 -14.627 -4.695 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.690 -15.364 -3.142 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.616 -15.783 -2.260 1.00 0.00 C ATOM 1361 C GLY A 83 -5.284 -15.906 -2.978 1.00 0.00 C ATOM 1362 O GLY A 83 -4.969 -16.964 -3.523 1.00 0.00 O ATOM 0 H GLY A 83 -7.754 -14.356 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.520 -15.066 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.873 -16.743 -1.812 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.504 -14.825 -2.979 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.198 -14.819 -3.640 1.00 0.00 C ATOM 1368 C PHE A 84 -2.231 -13.843 -2.954 1.00 0.00 C ATOM 1369 O PHE A 84 -2.644 -13.020 -2.132 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.360 -14.453 -5.121 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.800 -15.606 -5.985 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.924 -16.636 -6.294 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.091 -15.657 -6.490 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.329 -17.695 -7.088 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.500 -16.712 -7.284 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.618 -17.732 -7.583 1.00 0.00 C ATOM 0 H PHE A 84 -4.753 -13.943 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.774 -15.820 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.087 -13.646 -5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.412 -14.070 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.915 -16.611 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.785 -14.862 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.638 -18.492 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.508 -16.739 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.936 -18.557 -8.203 1.00 0.00 H new ATOM 1386 N PRO A 85 -0.924 -13.934 -3.281 1.00 0.00 N ATOM 1387 CA PRO A 85 0.116 -13.066 -2.697 1.00 0.00 C ATOM 1388 C PRO A 85 -0.078 -11.587 -3.043 1.00 0.00 C ATOM 1389 O PRO A 85 -0.758 -11.251 -4.014 1.00 0.00 O ATOM 1390 CB PRO A 85 1.418 -13.585 -3.325 1.00 0.00 C ATOM 1391 CG PRO A 85 1.092 -14.947 -3.834 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.351 -14.898 -4.235 1.00 0.00 C ATOM 0 HA PRO A 85 0.099 -13.108 -1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.753 -12.933 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.222 -13.622 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.725 -15.209 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.259 -15.702 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.473 -14.567 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.826 -15.876 -4.156 1.00 0.00 H new ATOM 1400 N LEU A 86 0.534 -10.711 -2.240 1.00 0.00 N ATOM 1401 CA LEU A 86 0.445 -9.263 -2.449 1.00 0.00 C ATOM 1402 C LEU A 86 1.684 -8.555 -1.890 1.00 0.00 C ATOM 1403 O LEU A 86 1.992 -8.664 -0.705 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.828 -8.704 -1.803 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.014 -9.028 -0.317 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.845 -7.948 0.354 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.664 -10.394 -0.137 1.00 0.00 C ATOM 0 H LEU A 86 1.099 -10.982 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 86 0.400 -9.077 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.829 -7.621 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.690 -9.086 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.032 -9.058 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.971 -8.189 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.339 -6.987 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.823 -7.892 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.786 -10.602 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.640 -10.399 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.032 -11.160 -0.586 1.00 0.00 H new ATOM 1419 N ASP A 87 2.389 -7.829 -2.757 1.00 0.00 N ATOM 1420 CA ASP A 87 3.599 -7.099 -2.366 1.00 0.00 C ATOM 1421 C ASP A 87 3.517 -5.633 -2.799 1.00 0.00 C ATOM 1422 O ASP A 87 2.950 -5.320 -3.843 1.00 0.00 O ATOM 1423 CB ASP A 87 4.831 -7.768 -2.995 1.00 0.00 C ATOM 1424 CG ASP A 87 6.138 -7.072 -2.644 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.420 -6.005 -3.220 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.888 -7.603 -1.805 1.00 0.00 O ATOM 0 H ASP A 87 2.142 -7.729 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 87 3.686 -7.127 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.880 -8.806 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.715 -7.782 -4.079 1.00 0.00 H new ATOM 1431 N ILE A 88 4.101 -4.736 -2.001 1.00 0.00 N ATOM 1432 CA ILE A 88 4.097 -3.310 -2.323 1.00 0.00 C ATOM 1433 C ILE A 88 5.507 -2.722 -2.242 1.00 0.00 C ATOM 1434 O ILE A 88 6.204 -2.887 -1.237 1.00 0.00 O ATOM 1435 CB ILE A 88 3.137 -2.517 -1.402 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.006 -1.062 -1.884 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.590 -2.581 0.055 1.00 0.00 C ATOM 1438 CD1 ILE A 88 4.181 -0.175 -1.524 1.00 0.00 C ATOM 0 H ILE A 88 4.580 -4.972 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 88 3.737 -3.217 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 88 2.152 -2.981 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.884 -1.061 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.099 -0.632 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.896 -2.015 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.609 -3.620 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.589 -2.154 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.006 0.832 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.293 -0.142 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.090 -0.577 -1.971 1.00 0.00 H new ATOM 1450 N SER A 89 5.917 -2.031 -3.309 1.00 0.00 N ATOM 1451 CA SER A 89 7.238 -1.408 -3.369 1.00 0.00 C ATOM 1452 C SER A 89 7.123 0.115 -3.339 1.00 0.00 C ATOM 1453 O SER A 89 6.330 0.699 -4.083 1.00 0.00 O ATOM 1454 CB SER A 89 7.982 -1.854 -4.632 1.00 0.00 C ATOM 1455 OG SER A 89 7.300 -1.441 -5.806 1.00 0.00 O ATOM 0 H SER A 89 5.349 -1.890 -4.145 1.00 0.00 H new ATOM 0 HA SER A 89 7.803 -1.728 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.989 -1.438 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.085 -2.939 -4.632 1.00 0.00 H new ATOM 0 HG SER A 89 6.780 -0.632 -5.615 1.00 0.00 H new ATOM 1461 N VAL A 90 7.910 0.753 -2.469 1.00 0.00 N ATOM 1462 CA VAL A 90 7.889 2.209 -2.333 1.00 0.00 C ATOM 1463 C VAL A 90 9.228 2.834 -2.731 1.00 0.00 C ATOM 1464 O VAL A 90 10.290 2.276 -2.451 1.00 0.00 O ATOM 1465 CB VAL A 90 7.529 2.621 -0.882 1.00 0.00 C ATOM 1466 CG1 VAL A 90 8.733 2.539 0.044 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.918 4.017 -0.848 1.00 0.00 C ATOM 0 H VAL A 90 8.569 0.283 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 90 7.123 2.584 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 90 6.787 1.910 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.439 2.836 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.109 1.516 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 90 9.516 3.207 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.674 4.283 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.632 4.736 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.010 4.032 -1.451 1.00 0.00 H new ATOM 1477 N PHE A 91 9.163 4.003 -3.375 1.00 0.00 N ATOM 1478 CA PHE A 91 10.360 4.727 -3.801 1.00 0.00 C ATOM 1479 C PHE A 91 10.185 6.224 -3.550 1.00 0.00 C ATOM 1480 O PHE A 91 9.064 6.737 -3.576 1.00 0.00 O ATOM 1481 CB PHE A 91 10.661 4.472 -5.284 1.00 0.00 C ATOM 1482 CG PHE A 91 11.024 3.045 -5.596 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.031 2.402 -4.895 1.00 0.00 C ATOM 1484 CD2 PHE A 91 10.358 2.347 -6.591 1.00 0.00 C ATOM 1485 CE1 PHE A 91 12.368 1.093 -5.179 1.00 0.00 C ATOM 1486 CE2 PHE A 91 10.690 1.037 -6.881 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.697 0.409 -6.173 1.00 0.00 C ATOM 0 H PHE A 91 8.287 4.469 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 91 11.204 4.362 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.789 4.752 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.479 5.121 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 91 12.560 2.931 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.570 2.833 -7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 91 13.156 0.605 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 91 10.163 0.505 -7.660 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.959 -0.615 -6.397 1.00 0.00 H new ATOM 1497 N LEU A 92 11.292 6.918 -3.298 1.00 0.00 N ATOM 1498 CA LEU A 92 11.256 8.354 -3.027 1.00 0.00 C ATOM 1499 C LEU A 92 12.384 9.085 -3.758 1.00 0.00 C ATOM 1500 O LEU A 92 12.148 10.098 -4.419 1.00 0.00 O ATOM 1501 CB LEU A 92 11.340 8.597 -1.512 1.00 0.00 C ATOM 1502 CG LEU A 92 11.558 10.050 -1.066 1.00 0.00 C ATOM 1503 CD1 LEU A 92 13.038 10.405 -1.097 1.00 0.00 C ATOM 1504 CD2 LEU A 92 10.754 11.018 -1.924 1.00 0.00 C ATOM 0 H LEU A 92 12.226 6.509 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 92 10.313 8.754 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.419 8.234 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.154 7.991 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 92 11.203 10.141 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.171 11.439 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.585 9.744 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.419 10.287 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.930 12.038 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.063 10.925 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.693 10.785 -1.839 1.00 0.00 H new ATOM 1516 N LEU A 93 13.606 8.575 -3.636 1.00 0.00 N ATOM 1517 CA LEU A 93 14.753 9.194 -4.289 1.00 0.00 C ATOM 1518 C LEU A 93 15.832 8.162 -4.612 1.00 0.00 C ATOM 1519 O LEU A 93 16.127 7.915 -5.782 1.00 0.00 O ATOM 1520 CB LEU A 93 15.328 10.306 -3.404 1.00 0.00 C ATOM 1521 CG LEU A 93 16.511 11.073 -4.003 1.00 0.00 C ATOM 1522 CD1 LEU A 93 16.199 12.560 -4.084 1.00 0.00 C ATOM 1523 CD2 LEU A 93 17.775 10.830 -3.189 1.00 0.00 C ATOM 0 H LEU A 93 13.826 7.739 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 93 14.413 9.627 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.532 11.016 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.642 9.868 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 93 16.682 10.705 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 93 17.051 13.088 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.323 12.714 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.999 12.945 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 93 18.604 11.383 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.618 11.167 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 93 18.009 9.765 -3.189 1.00 0.00 H new ATOM 1535 N GLU A 94 16.420 7.568 -3.573 1.00 0.00 N ATOM 1536 CA GLU A 94 17.470 6.568 -3.752 1.00 0.00 C ATOM 1537 C GLU A 94 17.721 5.796 -2.456 1.00 0.00 C ATOM 1538 O GLU A 94 17.669 4.566 -2.438 1.00 0.00 O ATOM 1539 CB GLU A 94 18.766 7.236 -4.228 1.00 0.00 C ATOM 1540 CG GLU A 94 19.599 6.364 -5.159 1.00 0.00 C ATOM 1541 CD GLU A 94 20.981 6.061 -4.606 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.082 5.702 -3.413 1.00 0.00 O ATOM 1543 OE2 GLU A 94 21.963 6.183 -5.368 1.00 0.00 O ATOM 0 H GLU A 94 16.186 7.763 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 94 17.136 5.860 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.518 8.165 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.368 7.502 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.072 5.427 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.700 6.863 -6.123 1.00 0.00 H new ATOM 1550 N LYS A 95 17.991 6.528 -1.372 1.00 0.00 N ATOM 1551 CA LYS A 95 18.247 5.912 -0.069 1.00 0.00 C ATOM 1552 C LYS A 95 17.506 6.657 1.045 1.00 0.00 C ATOM 1553 O LYS A 95 18.066 6.918 2.112 1.00 0.00 O ATOM 1554 CB LYS A 95 19.753 5.883 0.222 1.00 0.00 C ATOM 1555 CG LYS A 95 20.447 7.225 0.024 1.00 0.00 C ATOM 1556 CD LYS A 95 20.869 7.840 1.350 1.00 0.00 C ATOM 1557 CE LYS A 95 20.609 9.341 1.380 1.00 0.00 C ATOM 1558 NZ LYS A 95 19.193 9.658 1.726 1.00 0.00 N ATOM 0 H LYS A 95 18.038 7.547 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 95 17.875 4.888 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.908 5.553 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.224 5.143 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 95 21.323 7.092 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.777 7.908 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.326 7.360 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.929 7.650 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.273 9.809 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.849 9.770 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.727 10.101 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.692 8.782 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.171 10.313 2.534 1.00 0.00 H new ATOM 1572 N ALA A 96 16.241 6.992 0.792 1.00 0.00 N ATOM 1573 CA ALA A 96 15.426 7.700 1.776 1.00 0.00 C ATOM 1574 C ALA A 96 14.412 6.768 2.428 1.00 0.00 C ATOM 1575 O ALA A 96 14.314 6.707 3.653 1.00 0.00 O ATOM 1576 CB ALA A 96 14.716 8.879 1.131 1.00 0.00 C ATOM 0 H ALA A 96 15.760 6.785 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 96 16.093 8.072 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.114 9.395 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.454 9.569 0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.070 8.521 0.329 1.00 0.00 H new ATOM 1582 N GLY A 97 13.661 6.042 1.600 1.00 0.00 N ATOM 1583 CA GLY A 97 12.664 5.120 2.119 1.00 0.00 C ATOM 1584 C GLY A 97 12.255 4.058 1.111 1.00 0.00 C ATOM 1585 O GLY A 97 11.147 3.528 1.185 1.00 0.00 O ATOM 0 H GLY A 97 13.725 6.076 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.057 4.633 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.781 5.682 2.425 1.00 0.00 H new ATOM 1589 N GLU A 98 13.151 3.745 0.171 1.00 0.00 N ATOM 1590 CA GLU A 98 12.875 2.741 -0.853 1.00 0.00 C ATOM 1591 C GLU A 98 12.842 1.339 -0.243 1.00 0.00 C ATOM 1592 O GLU A 98 13.889 0.741 0.016 1.00 0.00 O ATOM 1593 CB GLU A 98 13.928 2.817 -1.963 1.00 0.00 C ATOM 1594 CG GLU A 98 14.090 4.214 -2.554 1.00 0.00 C ATOM 1595 CD GLU A 98 14.611 4.206 -3.980 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.536 3.422 -4.277 1.00 0.00 O ATOM 1597 OE2 GLU A 98 14.091 4.988 -4.801 1.00 0.00 O ATOM 0 H GLU A 98 14.074 4.174 0.100 1.00 0.00 H new ATOM 0 HA GLU A 98 11.895 2.947 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.887 2.486 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.656 2.124 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.128 4.725 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.773 4.789 -1.928 1.00 0.00 H new ATOM 1604 N ARG A 99 11.632 0.825 -0.002 1.00 0.00 N ATOM 1605 CA ARG A 99 11.467 -0.499 0.592 1.00 0.00 C ATOM 1606 C ARG A 99 10.271 -1.240 -0.011 1.00 0.00 C ATOM 1607 O ARG A 99 9.338 -0.621 -0.524 1.00 0.00 O ATOM 1608 CB ARG A 99 11.293 -0.379 2.110 1.00 0.00 C ATOM 1609 CG ARG A 99 11.947 -1.505 2.896 1.00 0.00 C ATOM 1610 CD ARG A 99 13.269 -1.068 3.507 1.00 0.00 C ATOM 1611 NE ARG A 99 14.062 -2.205 3.972 1.00 0.00 N ATOM 1612 CZ ARG A 99 15.287 -2.098 4.497 1.00 0.00 C ATOM 1613 NH1 ARG A 99 15.862 -0.905 4.636 1.00 0.00 N ATOM 1614 NH2 ARG A 99 15.938 -3.187 4.888 1.00 0.00 N ATOM 0 H ARG A 99 10.757 1.306 -0.209 1.00 0.00 H new ATOM 0 HA ARG A 99 12.366 -1.075 0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.711 0.572 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.228 -0.357 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.273 -1.837 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.114 -2.359 2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.841 -0.505 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.077 -0.395 4.342 1.00 0.00 H new ATOM 0 HE ARG A 99 13.656 -3.137 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.368 -0.063 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.797 -0.833 5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.504 -4.104 4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.873 -3.106 5.289 1.00 0.00 H new ATOM 1628 N LYS A 100 10.304 -2.571 0.073 1.00 0.00 N ATOM 1629 CA LYS A 100 9.220 -3.407 -0.442 1.00 0.00 C ATOM 1630 C LYS A 100 8.854 -4.488 0.575 1.00 0.00 C ATOM 1631 O LYS A 100 9.736 -5.128 1.151 1.00 0.00 O ATOM 1632 CB LYS A 100 9.612 -4.050 -1.778 1.00 0.00 C ATOM 1633 CG LYS A 100 10.802 -4.998 -1.683 1.00 0.00 C ATOM 1634 CD LYS A 100 10.414 -6.424 -2.051 1.00 0.00 C ATOM 1635 CE LYS A 100 10.756 -6.742 -3.499 1.00 0.00 C ATOM 1636 NZ LYS A 100 9.776 -7.682 -4.115 1.00 0.00 N ATOM 0 H LYS A 100 11.072 -3.094 0.494 1.00 0.00 H new ATOM 0 HA LYS A 100 8.351 -2.770 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.755 -4.597 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.844 -3.262 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.596 -4.654 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.203 -4.979 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.930 -7.123 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.345 -6.564 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.782 -5.818 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.754 -7.177 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.048 -7.870 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.768 -8.575 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.827 -7.258 -4.093 1.00 0.00 H new ATOM 1650 N ILE A 101 7.555 -4.681 0.802 1.00 0.00 N ATOM 1651 CA ILE A 101 7.091 -5.678 1.762 1.00 0.00 C ATOM 1652 C ILE A 101 6.079 -6.647 1.137 1.00 0.00 C ATOM 1653 O ILE A 101 5.014 -6.238 0.667 1.00 0.00 O ATOM 1654 CB ILE A 101 6.474 -5.010 3.015 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.098 -6.067 4.062 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.262 -4.166 2.643 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.016 -6.084 5.266 1.00 0.00 C ATOM 0 H ILE A 101 6.810 -4.163 0.336 1.00 0.00 H new ATOM 0 HA ILE A 101 7.968 -6.250 2.065 1.00 0.00 H new ATOM 0 HB ILE A 101 7.224 -4.349 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.077 -5.886 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.110 -7.051 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.848 -3.708 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.563 -3.386 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.507 -4.799 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.688 -6.856 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.035 -6.295 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.986 -5.113 5.760 1.00 0.00 H new ATOM 1669 N PRO A 102 6.410 -7.956 1.126 1.00 0.00 N ATOM 1670 CA PRO A 102 5.546 -8.999 0.567 1.00 0.00 C ATOM 1671 C PRO A 102 4.513 -9.509 1.576 1.00 0.00 C ATOM 1672 O PRO A 102 4.750 -9.480 2.786 1.00 0.00 O ATOM 1673 CB PRO A 102 6.544 -10.101 0.220 1.00 0.00 C ATOM 1674 CG PRO A 102 7.616 -9.977 1.253 1.00 0.00 C ATOM 1675 CD PRO A 102 7.667 -8.523 1.658 1.00 0.00 C ATOM 0 HA PRO A 102 4.955 -8.643 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.075 -11.085 0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.945 -9.971 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.399 -10.610 2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.577 -10.301 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.727 -8.413 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.539 -8.023 1.238 1.00 0.00 H new ATOM 1683 N HIS A 103 3.368 -9.971 1.071 1.00 0.00 N ATOM 1684 CA HIS A 103 2.294 -10.481 1.924 1.00 0.00 C ATOM 1685 C HIS A 103 1.523 -11.602 1.222 1.00 0.00 C ATOM 1686 O HIS A 103 1.666 -11.800 0.014 1.00 0.00 O ATOM 1687 CB HIS A 103 1.334 -9.347 2.301 1.00 0.00 C ATOM 1688 CG HIS A 103 1.672 -8.678 3.596 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.692 -7.760 3.726 1.00 0.00 N ATOM 1690 CD2 HIS A 103 1.121 -8.801 4.824 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.753 -7.347 4.977 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.810 -7.963 5.666 1.00 0.00 N ATOM 0 H HIS A 103 3.161 -10.002 0.073 1.00 0.00 H new ATOM 0 HA HIS A 103 2.745 -10.886 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.336 -8.602 1.506 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.321 -9.745 2.362 1.00 0.00 H new ATOM 0 HD1 HIS A 103 3.304 -7.449 2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.293 -9.440 5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.455 -6.627 5.371 1.00 0.00 H new ATOM 1701 N ASP A 104 0.702 -12.326 1.987 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.098 -13.422 1.440 1.00 0.00 C ATOM 1703 C ASP A 104 -1.562 -13.278 1.853 1.00 0.00 C ATOM 1704 O ASP A 104 -1.862 -12.735 2.918 1.00 0.00 O ATOM 1705 CB ASP A 104 0.453 -14.774 1.910 1.00 0.00 C ATOM 1706 CG ASP A 104 1.403 -15.412 0.906 1.00 0.00 C ATOM 1707 OD1 ASP A 104 2.022 -14.678 0.106 1.00 0.00 O ATOM 1708 OD2 ASP A 104 1.532 -16.652 0.924 1.00 0.00 O ATOM 0 H ASP A 104 0.575 -12.172 2.987 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.038 -13.378 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.973 -14.638 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.378 -15.453 2.097 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.470 -13.761 1.006 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.899 -13.676 1.293 1.00 0.00 C ATOM 1715 C LEU A 105 -4.574 -15.037 1.146 1.00 0.00 C ATOM 1716 O LEU A 105 -4.986 -15.421 0.050 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.566 -12.652 0.368 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.840 -12.015 0.924 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.495 -10.893 1.890 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.721 -11.501 -0.205 1.00 0.00 C ATOM 0 H LEU A 105 -2.242 -14.213 0.120 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.016 -13.351 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.848 -11.862 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.804 -13.139 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.397 -12.778 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.413 -10.450 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.909 -11.293 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.916 -10.130 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.622 -11.052 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.176 -10.753 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.997 -12.330 -0.857 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.689 -15.763 2.261 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.319 -17.084 2.260 1.00 0.00 C ATOM 1734 C ASN A 106 -5.436 -17.644 3.681 1.00 0.00 C ATOM 1735 O ASN A 106 -5.128 -18.813 3.926 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.528 -18.054 1.373 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.427 -19.045 0.657 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.421 -18.535 -0.062 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -5.230 -20.256 0.750 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.354 -15.458 3.175 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.325 -16.974 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.958 -17.487 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.808 -18.597 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.454 -20.605 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.842 -20.911 0.264 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.883 -16.804 4.616 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.036 -17.222 6.007 1.00 0.00 C ATOM 1748 C PHE A 107 -7.291 -16.619 6.628 1.00 0.00 C ATOM 1749 O PHE A 107 -7.494 -15.402 6.582 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.807 -16.816 6.825 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.643 -17.755 6.672 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.794 -17.653 5.581 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.396 -18.735 7.620 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.724 -18.513 5.438 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.326 -19.598 7.482 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.488 -19.486 6.389 1.00 0.00 C ATOM 0 H PHE A 107 -6.144 -15.835 4.435 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.133 -18.308 6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.497 -15.815 6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.084 -16.763 7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.972 -16.893 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.047 -18.825 8.477 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.071 -18.425 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.145 -20.359 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.650 -20.158 6.279 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.129 -17.479 7.212 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.364 -17.040 7.851 1.00 0.00 C ATOM 1768 C LEU A 108 -9.077 -15.997 8.931 1.00 0.00 C ATOM 1769 O LEU A 108 -8.350 -16.265 9.891 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.112 -18.238 8.453 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.346 -19.022 9.525 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.113 -19.021 10.839 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.080 -20.448 9.059 1.00 0.00 C ATOM 0 H LEU A 108 -7.971 -18.486 7.254 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.995 -16.580 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.046 -17.881 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.376 -18.922 7.646 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.386 -18.531 9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.553 -19.582 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.248 -17.995 11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.088 -19.485 10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.535 -20.988 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.028 -20.950 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.486 -20.427 8.145 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.648 -14.805 8.754 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.465 -13.698 9.690 1.00 0.00 C ATOM 1787 C GLN A 109 -8.030 -13.170 9.633 1.00 0.00 C ATOM 1788 O GLN A 109 -7.267 -13.287 10.595 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.829 -14.124 11.118 1.00 0.00 C ATOM 1790 CG GLN A 109 -11.161 -13.566 11.592 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.079 -12.100 11.976 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.492 -11.747 12.999 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.668 -11.232 11.157 1.00 0.00 N ATOM 0 H GLN A 109 -10.248 -14.581 7.960 1.00 0.00 H new ATOM 0 HA GLN A 109 -10.137 -12.892 9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.861 -15.212 11.168 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.043 -13.797 11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.903 -13.690 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.508 -14.143 12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.145 -11.564 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.643 -10.234 11.368 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.676 -12.579 8.492 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.348 -12.019 8.292 1.00 0.00 C ATOM 1804 C GLU A 110 -6.327 -10.547 8.668 1.00 0.00 C ATOM 1805 O GLU A 110 -7.240 -9.794 8.321 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.904 -12.177 6.837 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.496 -11.652 6.562 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.510 -12.758 6.226 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.869 -13.663 5.443 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.378 -12.718 6.748 1.00 0.00 O ATOM 0 H GLU A 110 -8.298 -12.477 7.690 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.657 -12.565 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.948 -13.232 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.610 -11.653 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.533 -10.941 5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.139 -11.107 7.436 1.00 0.00 H new ATOM 1817 N SER A 111 -5.271 -10.150 9.365 1.00 0.00 N ATOM 1818 CA SER A 111 -5.090 -8.770 9.792 1.00 0.00 C ATOM 1819 C SER A 111 -3.610 -8.404 9.714 1.00 0.00 C ATOM 1820 O SER A 111 -2.927 -8.283 10.734 1.00 0.00 O ATOM 1821 CB SER A 111 -5.627 -8.580 11.212 1.00 0.00 C ATOM 1822 OG SER A 111 -6.048 -7.244 11.425 1.00 0.00 O ATOM 0 H SER A 111 -4.517 -10.775 9.650 1.00 0.00 H new ATOM 0 HA SER A 111 -5.650 -8.109 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.463 -9.259 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.853 -8.840 11.934 1.00 0.00 H new ATOM 0 HG SER A 111 -6.388 -7.150 12.339 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.120 -8.244 8.485 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.725 -7.911 8.250 1.00 0.00 C ATOM 1830 C TYR A 112 -1.616 -6.602 7.483 1.00 0.00 C ATOM 1831 O TYR A 112 -2.116 -6.480 6.364 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.034 -9.036 7.477 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.330 -10.042 8.363 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.040 -11.052 9.001 1.00 0.00 C ATOM 1835 CD2 TYR A 112 1.044 -9.985 8.553 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.400 -11.974 9.806 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.691 -10.903 9.358 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.966 -11.896 9.981 1.00 0.00 C ATOM 1839 OH TYR A 112 1.608 -12.816 10.779 1.00 0.00 O ATOM 0 H TYR A 112 -3.676 -8.341 7.636 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.229 -7.793 9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.775 -9.556 6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.309 -8.600 6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.109 -11.117 8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.616 -9.211 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.966 -12.752 10.296 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.760 -10.843 9.498 1.00 0.00 H new ATOM 0 HH TYR A 112 2.568 -12.621 10.796 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.966 -5.629 8.104 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.790 -4.312 7.498 1.00 0.00 C ATOM 1851 C GLU A 113 0.566 -3.705 7.867 1.00 0.00 C ATOM 1852 O GLU A 113 1.087 -3.945 8.958 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.936 -3.393 7.929 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.828 -2.883 9.361 1.00 0.00 C ATOM 1855 CD GLU A 113 -3.076 -3.155 10.182 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.591 -4.295 10.130 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.540 -2.228 10.878 1.00 0.00 O ATOM 0 H GLU A 113 -0.550 -5.725 9.030 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.809 -4.422 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.974 -2.538 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.878 -3.930 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.972 -3.353 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.636 -1.810 9.346 1.00 0.00 H new ATOM 1864 N VAL A 114 1.136 -2.928 6.941 1.00 0.00 N ATOM 1865 CA VAL A 114 2.438 -2.296 7.161 1.00 0.00 C ATOM 1866 C VAL A 114 2.365 -0.778 7.022 1.00 0.00 C ATOM 1867 O VAL A 114 1.571 -0.250 6.236 1.00 0.00 O ATOM 1868 CB VAL A 114 3.504 -2.824 6.174 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.885 -2.286 6.530 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.513 -4.343 6.148 1.00 0.00 C ATOM 0 H VAL A 114 0.716 -2.723 6.034 1.00 0.00 H new ATOM 0 HA VAL A 114 2.725 -2.553 8.181 1.00 0.00 H new ATOM 0 HB VAL A 114 3.245 -2.468 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.619 -2.671 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.874 -1.197 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.151 -2.605 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.271 -4.690 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.740 -4.723 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.535 -4.707 5.835 1.00 0.00 H new ATOM 1880 N GLU A 115 3.217 -0.086 7.781 1.00 0.00 N ATOM 1881 CA GLU A 115 3.283 1.371 7.749 1.00 0.00 C ATOM 1882 C GLU A 115 4.738 1.839 7.699 1.00 0.00 C ATOM 1883 O GLU A 115 5.472 1.720 8.682 1.00 0.00 O ATOM 1884 CB GLU A 115 2.583 1.960 8.975 1.00 0.00 C ATOM 1885 CG GLU A 115 1.075 1.744 8.980 1.00 0.00 C ATOM 1886 CD GLU A 115 0.536 1.331 10.339 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.991 1.892 11.359 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.349 0.450 10.381 1.00 0.00 O ATOM 0 H GLU A 115 3.875 -0.519 8.430 1.00 0.00 H new ATOM 0 HA GLU A 115 2.774 1.720 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.008 1.515 9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.788 3.029 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.581 2.663 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.821 0.978 8.247 1.00 0.00 H new ATOM 1895 N HIS A 116 5.148 2.367 6.545 1.00 0.00 N ATOM 1896 CA HIS A 116 6.519 2.848 6.362 1.00 0.00 C ATOM 1897 C HIS A 116 6.551 4.365 6.174 1.00 0.00 C ATOM 1898 O HIS A 116 5.724 4.926 5.457 1.00 0.00 O ATOM 1899 CB HIS A 116 7.161 2.154 5.157 1.00 0.00 C ATOM 1900 CG HIS A 116 8.194 1.135 5.529 1.00 0.00 C ATOM 1901 ND1 HIS A 116 9.450 1.099 4.962 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.156 0.113 6.419 1.00 0.00 C ATOM 1903 CE1 HIS A 116 10.138 0.099 5.484 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.377 -0.514 6.371 1.00 0.00 N ATOM 0 H HIS A 116 4.552 2.473 5.724 1.00 0.00 H new ATOM 0 HA HIS A 116 7.087 2.607 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.381 1.670 4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.620 2.907 4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.321 -0.158 7.048 1.00 0.00 H new ATOM 0 HE1 HIS A 116 11.152 -0.171 5.228 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.651 -1.322 6.930 1.00 0.00 H new ATOM 1913 N VAL A 117 7.516 5.024 6.825 1.00 0.00 N ATOM 1914 CA VAL A 117 7.658 6.479 6.731 1.00 0.00 C ATOM 1915 C VAL A 117 8.888 6.876 5.915 1.00 0.00 C ATOM 1916 O VAL A 117 9.884 6.148 5.877 1.00 0.00 O ATOM 1917 CB VAL A 117 7.749 7.140 8.127 1.00 0.00 C ATOM 1918 CG1 VAL A 117 6.453 6.946 8.899 1.00 0.00 C ATOM 1919 CG2 VAL A 117 8.933 6.594 8.914 1.00 0.00 C ATOM 0 H VAL A 117 8.209 4.572 7.422 1.00 0.00 H new ATOM 0 HA VAL A 117 6.761 6.837 6.225 1.00 0.00 H new ATOM 0 HB VAL A 117 7.905 8.209 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.538 7.418 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.630 7.400 8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.261 5.881 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 117 8.974 7.075 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.818 5.518 9.044 1.00 0.00 H new ATOM 0 HG23 VAL A 117 9.856 6.797 8.371 1.00 0.00 H new ATOM 1929 N ILE A 118 8.806 8.034 5.260 1.00 0.00 N ATOM 1930 CA ILE A 118 9.898 8.547 4.435 1.00 0.00 C ATOM 1931 C ILE A 118 10.082 10.050 4.653 1.00 0.00 C ATOM 1932 O ILE A 118 9.128 10.822 4.525 1.00 0.00 O ATOM 1933 CB ILE A 118 9.642 8.289 2.934 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.153 6.855 2.705 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.901 8.561 2.121 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.679 6.597 1.291 1.00 0.00 C ATOM 0 H ILE A 118 7.985 8.639 5.286 1.00 0.00 H new ATOM 0 HA ILE A 118 10.802 8.018 4.737 1.00 0.00 H new ATOM 0 HB ILE A 118 8.862 8.973 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.961 6.162 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.338 6.643 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.700 8.374 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.203 9.600 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.702 7.904 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.348 5.562 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.850 7.265 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.498 6.777 0.594 1.00 0.00 H new ATOM 1948 N GLN A 119 11.307 10.459 4.983 1.00 0.00 N ATOM 1949 CA GLN A 119 11.607 11.872 5.220 1.00 0.00 C ATOM 1950 C GLN A 119 12.840 12.318 4.435 1.00 0.00 C ATOM 1951 O GLN A 119 13.885 11.666 4.491 1.00 0.00 O ATOM 1952 CB GLN A 119 11.819 12.127 6.713 1.00 0.00 C ATOM 1953 CG GLN A 119 12.895 11.252 7.346 1.00 0.00 C ATOM 1954 CD GLN A 119 12.692 11.049 8.835 1.00 0.00 C ATOM 1955 OE1 GLN A 119 12.019 11.840 9.497 1.00 0.00 O ATOM 1956 NE2 GLN A 119 13.275 9.983 9.374 1.00 0.00 N ATOM 0 H GLN A 119 12.106 9.834 5.092 1.00 0.00 H new ATOM 0 HA GLN A 119 10.754 12.456 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.085 13.174 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.877 11.962 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.904 10.281 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 119 13.871 11.706 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 119 13.824 9.352 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 119 13.173 9.796 10.371 1.00 0.00 H new ATOM 1965 N ILE A 120 12.714 13.435 3.712 1.00 0.00 N ATOM 1966 CA ILE A 120 13.827 13.969 2.921 1.00 0.00 C ATOM 1967 C ILE A 120 13.722 15.488 2.738 1.00 0.00 C ATOM 1968 O ILE A 120 13.554 15.978 1.619 1.00 0.00 O ATOM 1969 CB ILE A 120 13.915 13.298 1.533 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.530 13.209 0.880 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.547 11.923 1.651 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.461 13.870 -0.480 1.00 0.00 C ATOM 0 H ILE A 120 11.857 13.985 3.658 1.00 0.00 H new ATOM 0 HA ILE A 120 14.733 13.744 3.484 1.00 0.00 H new ATOM 0 HB ILE A 120 14.547 13.913 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.251 12.160 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.796 13.673 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.602 11.462 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.551 12.018 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.942 11.300 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.453 13.769 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.709 14.927 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.171 13.391 -1.154 1.00 0.00 H new ATOM 1984 N PRO A 121 13.829 16.258 3.837 1.00 0.00 N ATOM 1985 CA PRO A 121 13.752 17.724 3.785 1.00 0.00 C ATOM 1986 C PRO A 121 14.977 18.359 3.119 1.00 0.00 C ATOM 1987 O PRO A 121 14.864 19.392 2.457 1.00 0.00 O ATOM 1988 CB PRO A 121 13.674 18.128 5.260 1.00 0.00 C ATOM 1989 CG PRO A 121 14.328 17.010 5.999 1.00 0.00 C ATOM 1990 CD PRO A 121 14.033 15.762 5.212 1.00 0.00 C ATOM 0 HA PRO A 121 12.905 18.062 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 121 14.187 19.073 5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.640 18.261 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 121 15.402 17.174 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 121 13.938 16.932 7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.858 15.051 5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 121 13.147 15.250 5.589 1.00 0.00 H new