USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 Single : A 3 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.8) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0509 (180deg=-0.412) USER MOD Single : A 10 SER OG : rot 180:sc= 0.163 USER MOD Single : A 17 SER OG : rot -73:sc= 0.984 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.0242 (180deg=-0.267) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0502 (180deg=-0.405) USER MOD Single : A 27 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 31 SER OG : rot 180:sc= -0.546 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc=-0.00087 (180deg=-0.174) USER MOD Single : A 42 MET CE :methyl -151:sc=-0.00333 (180deg=-0.276) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.32 F(o=-2!,f=-0.32) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.29 F(o=-1,f=-0.29) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0948) USER MOD Single : A 52 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.9) USER MOD Single : A 54 TYR OH : rot -76:sc= 0.66 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0606) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.0636 (180deg=-0.543) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= 0.106 (180deg=-0.0914) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc=-0.00543 (180deg=-0.0525) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc=-0.00162 (180deg=-0.221) USER MOD Single : A 82 BME O1 : rot -130:sc= -0.0979 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 1.655 -11.730 4.726 1.00 0.00 N ATOM 2 CA ASN A 3 1.738 -11.917 3.238 1.00 0.00 C ATOM 3 C ASN A 3 1.248 -10.652 2.512 1.00 0.00 C ATOM 4 O ASN A 3 0.478 -9.911 3.093 1.00 0.00 O ATOM 5 CB ASN A 3 0.861 -13.124 2.836 1.00 0.00 C ATOM 6 CG ASN A 3 -0.591 -12.929 3.304 1.00 0.00 C ATOM 7 OD1 ASN A 3 -1.292 -12.040 2.862 1.00 0.00 O ATOM 8 ND2 ASN A 3 -1.085 -13.738 4.200 1.00 0.00 N ATOM 0 HA ASN A 3 2.774 -12.099 2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.884 -13.251 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.268 -14.036 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.046 -13.619 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.510 -14.489 4.581 1.00 0.00 H new ATOM 15 N ALA A 4 1.685 -10.454 1.289 1.00 0.00 N ATOM 16 CA ALA A 4 1.270 -9.249 0.494 1.00 0.00 C ATOM 17 C ALA A 4 1.110 -7.984 1.374 1.00 0.00 C ATOM 18 O ALA A 4 0.007 -7.630 1.741 1.00 0.00 O ATOM 19 CB ALA A 4 -0.064 -9.577 -0.216 1.00 0.00 C ATOM 0 H ALA A 4 2.321 -11.085 0.801 1.00 0.00 H new ATOM 0 HA ALA A 4 2.053 -9.024 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.386 -8.715 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.076 -10.432 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.824 -9.815 0.529 1.00 0.00 H new ATOM 25 N PRO A 5 2.213 -7.339 1.700 1.00 0.00 N ATOM 26 CA PRO A 5 2.219 -6.052 2.469 1.00 0.00 C ATOM 27 C PRO A 5 1.311 -4.935 1.931 1.00 0.00 C ATOM 28 O PRO A 5 1.250 -3.859 2.491 1.00 0.00 O ATOM 29 CB PRO A 5 3.710 -5.662 2.523 1.00 0.00 C ATOM 30 CG PRO A 5 4.440 -7.028 2.392 1.00 0.00 C ATOM 31 CD PRO A 5 3.592 -7.799 1.370 1.00 0.00 C ATOM 0 HA PRO A 5 1.776 -6.196 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.978 -4.983 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.961 -5.159 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.466 -6.902 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.487 -7.550 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.869 -7.556 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.700 -8.878 1.482 1.00 0.00 H new ATOM 39 N LYS A 6 0.650 -5.256 0.853 1.00 0.00 N ATOM 40 CA LYS A 6 -0.307 -4.366 0.129 1.00 0.00 C ATOM 41 C LYS A 6 0.431 -3.274 -0.640 1.00 0.00 C ATOM 42 O LYS A 6 1.639 -3.153 -0.562 1.00 0.00 O ATOM 43 CB LYS A 6 -1.303 -3.763 1.185 1.00 0.00 C ATOM 44 CG LYS A 6 -2.540 -3.136 0.504 1.00 0.00 C ATOM 45 CD LYS A 6 -3.650 -2.919 1.555 1.00 0.00 C ATOM 46 CE LYS A 6 -4.878 -2.263 0.891 1.00 0.00 C ATOM 47 NZ LYS A 6 -5.406 -3.129 -0.205 1.00 0.00 N ATOM 0 H LYS A 6 0.744 -6.171 0.413 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.864 -4.938 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.623 -4.546 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.791 -3.006 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.272 -2.186 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.900 -3.788 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.932 -3.873 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.280 -2.287 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.655 -2.095 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.604 -1.287 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.367 -2.822 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.788 -3.051 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.431 -4.118 0.116 1.00 0.00 H new ATOM 61 N ARG A 7 -0.337 -2.503 -1.363 1.00 0.00 N ATOM 62 CA ARG A 7 0.241 -1.395 -2.166 1.00 0.00 C ATOM 63 C ARG A 7 0.187 -0.122 -1.294 1.00 0.00 C ATOM 64 O ARG A 7 -0.882 0.282 -0.878 1.00 0.00 O ATOM 65 CB ARG A 7 -0.600 -1.244 -3.477 1.00 0.00 C ATOM 66 CG ARG A 7 -2.119 -1.047 -3.186 1.00 0.00 C ATOM 67 CD ARG A 7 -2.919 -1.035 -4.497 1.00 0.00 C ATOM 68 NE ARG A 7 -2.466 0.118 -5.334 1.00 0.00 N ATOM 69 CZ ARG A 7 -3.305 1.062 -5.667 1.00 0.00 C ATOM 70 NH1 ARG A 7 -4.390 0.749 -6.324 1.00 0.00 N ATOM 71 NH2 ARG A 7 -3.030 2.291 -5.329 1.00 0.00 N ATOM 0 H ARG A 7 -1.350 -2.598 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 7 1.275 -1.583 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.228 -0.393 -4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.463 -2.129 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.479 -1.848 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.274 -0.111 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.773 -1.971 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.985 -0.951 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.496 0.168 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.574 -0.223 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.053 1.477 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.174 2.499 -4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.671 3.044 -5.579 1.00 0.00 H new ATOM 85 N PRO A 8 1.326 0.479 -1.023 1.00 0.00 N ATOM 86 CA PRO A 8 1.426 1.669 -0.128 1.00 0.00 C ATOM 87 C PRO A 8 0.693 2.883 -0.736 1.00 0.00 C ATOM 88 O PRO A 8 0.158 2.779 -1.825 1.00 0.00 O ATOM 89 CB PRO A 8 2.935 1.876 0.029 1.00 0.00 C ATOM 90 CG PRO A 8 3.458 1.389 -1.326 1.00 0.00 C ATOM 91 CD PRO A 8 2.667 0.100 -1.555 1.00 0.00 C ATOM 0 HA PRO A 8 0.944 1.534 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.188 2.920 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.344 1.297 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.277 2.119 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.532 1.205 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.628 -0.176 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.097 -0.746 -1.020 1.00 0.00 H new ATOM 99 N PRO A 9 0.678 3.994 -0.030 1.00 0.00 N ATOM 100 CA PRO A 9 0.204 5.304 -0.566 1.00 0.00 C ATOM 101 C PRO A 9 0.730 5.674 -1.969 1.00 0.00 C ATOM 102 O PRO A 9 1.467 4.937 -2.596 1.00 0.00 O ATOM 103 CB PRO A 9 0.609 6.308 0.537 1.00 0.00 C ATOM 104 CG PRO A 9 1.713 5.569 1.320 1.00 0.00 C ATOM 105 CD PRO A 9 1.134 4.152 1.384 1.00 0.00 C ATOM 0 HA PRO A 9 -0.869 5.290 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.977 7.242 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.236 6.560 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.673 5.598 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.870 5.995 2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.880 3.409 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.315 4.068 2.098 1.00 0.00 H new ATOM 113 N SER A 10 0.322 6.838 -2.398 1.00 0.00 N ATOM 114 CA SER A 10 0.715 7.380 -3.737 1.00 0.00 C ATOM 115 C SER A 10 1.760 8.506 -3.661 1.00 0.00 C ATOM 116 O SER A 10 2.541 8.655 -4.579 1.00 0.00 O ATOM 117 CB SER A 10 -0.568 7.882 -4.419 1.00 0.00 C ATOM 118 OG SER A 10 -1.129 8.788 -3.479 1.00 0.00 O ATOM 0 H SER A 10 -0.286 7.456 -1.861 1.00 0.00 H new ATOM 0 HA SER A 10 1.192 6.584 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.349 8.375 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.251 7.061 -4.637 1.00 0.00 H new ATOM 0 HG SER A 10 -1.960 9.161 -3.840 1.00 0.00 H new ATOM 124 N ALA A 11 1.714 9.228 -2.565 1.00 0.00 N ATOM 125 CA ALA A 11 2.600 10.396 -2.215 1.00 0.00 C ATOM 126 C ALA A 11 1.578 11.410 -1.716 1.00 0.00 C ATOM 127 O ALA A 11 1.664 11.985 -0.647 1.00 0.00 O ATOM 128 CB ALA A 11 3.288 10.993 -3.432 1.00 0.00 C ATOM 0 H ALA A 11 1.032 9.034 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 11 3.393 10.117 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.913 11.830 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.908 10.234 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.536 11.344 -4.139 1.00 0.00 H new ATOM 134 N PHE A 12 0.612 11.575 -2.577 1.00 0.00 N ATOM 135 CA PHE A 12 -0.531 12.489 -2.358 1.00 0.00 C ATOM 136 C PHE A 12 -1.155 12.020 -1.052 1.00 0.00 C ATOM 137 O PHE A 12 -1.400 12.796 -0.162 1.00 0.00 O ATOM 138 CB PHE A 12 -1.422 12.310 -3.610 1.00 0.00 C ATOM 139 CG PHE A 12 -2.941 12.550 -3.506 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.605 13.101 -2.423 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.676 12.154 -4.605 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.977 13.236 -2.453 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.045 12.296 -4.633 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.698 12.836 -3.552 1.00 0.00 C ATOM 0 H PHE A 12 0.574 11.083 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.313 13.552 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.039 12.978 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.277 11.292 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.049 13.425 -1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.169 11.726 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.490 13.661 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.604 11.984 -5.503 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.772 12.946 -3.566 1.00 0.00 H new ATOM 154 N PHE A 13 -1.379 10.740 -0.968 1.00 0.00 N ATOM 155 CA PHE A 13 -1.998 10.148 0.256 1.00 0.00 C ATOM 156 C PHE A 13 -1.499 10.760 1.587 1.00 0.00 C ATOM 157 O PHE A 13 -2.266 10.922 2.517 1.00 0.00 O ATOM 158 CB PHE A 13 -1.736 8.640 0.227 1.00 0.00 C ATOM 159 CG PHE A 13 -2.992 7.946 0.787 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.256 7.922 2.145 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.892 7.352 -0.082 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.401 7.316 2.623 1.00 0.00 C ATOM 163 CE2 PHE A 13 -5.036 6.747 0.395 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.292 6.728 1.749 1.00 0.00 C ATOM 0 H PHE A 13 -1.158 10.068 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.064 10.375 0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.533 8.305 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.860 8.391 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.563 8.380 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.696 7.363 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.600 7.302 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.731 6.288 -0.293 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.187 6.254 2.125 1.00 0.00 H new ATOM 174 N LEU A 14 -0.237 11.103 1.655 1.00 0.00 N ATOM 175 CA LEU A 14 0.287 11.690 2.922 1.00 0.00 C ATOM 176 C LEU A 14 -0.283 13.097 3.145 1.00 0.00 C ATOM 177 O LEU A 14 -0.900 13.363 4.158 1.00 0.00 O ATOM 178 CB LEU A 14 1.832 11.783 2.881 1.00 0.00 C ATOM 179 CG LEU A 14 2.612 10.429 2.752 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.041 9.288 3.621 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.753 9.964 1.296 1.00 0.00 C ATOM 0 H LEU A 14 0.442 11.004 0.900 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.021 11.037 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.113 12.420 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.168 12.285 3.789 1.00 0.00 H new ATOM 0 HG LEU A 14 3.605 10.657 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.636 8.387 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.075 9.579 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.009 9.092 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.301 9.022 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.763 9.822 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.295 10.717 0.724 1.00 0.00 H new ATOM 193 N PHE A 15 -0.079 13.971 2.198 1.00 0.00 N ATOM 194 CA PHE A 15 -0.606 15.361 2.359 1.00 0.00 C ATOM 195 C PHE A 15 -2.168 15.319 2.416 1.00 0.00 C ATOM 196 O PHE A 15 -2.790 16.134 3.070 1.00 0.00 O ATOM 197 CB PHE A 15 0.036 16.178 1.167 1.00 0.00 C ATOM 198 CG PHE A 15 -0.902 16.752 0.115 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.515 15.902 -0.764 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.124 18.116 0.017 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.336 16.380 -1.734 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.956 18.605 -0.967 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.561 17.734 -1.844 1.00 0.00 C ATOM 0 H PHE A 15 0.423 13.789 1.329 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.334 15.858 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.605 17.003 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.749 15.528 0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.344 14.839 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.647 18.794 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.814 15.697 -2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.132 19.667 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.212 18.112 -2.618 1.00 0.00 H new ATOM 213 N CYS A 16 -2.745 14.361 1.728 1.00 0.00 N ATOM 214 CA CYS A 16 -4.236 14.161 1.679 1.00 0.00 C ATOM 215 C CYS A 16 -4.774 14.049 3.110 1.00 0.00 C ATOM 216 O CYS A 16 -5.714 14.731 3.461 1.00 0.00 O ATOM 217 CB CYS A 16 -4.590 12.861 0.918 1.00 0.00 C ATOM 218 SG CYS A 16 -4.831 11.315 1.828 1.00 0.00 S ATOM 0 H CYS A 16 -2.223 13.681 1.175 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.683 15.010 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.505 13.053 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.799 12.687 0.188 1.00 0.00 H new ATOM 223 N SER A 17 -4.174 13.187 3.896 1.00 0.00 N ATOM 224 CA SER A 17 -4.635 13.021 5.306 1.00 0.00 C ATOM 225 C SER A 17 -4.538 14.371 6.039 1.00 0.00 C ATOM 226 O SER A 17 -5.416 14.742 6.794 1.00 0.00 O ATOM 227 CB SER A 17 -3.759 11.961 6.014 1.00 0.00 C ATOM 228 OG SER A 17 -2.445 12.498 6.053 1.00 0.00 O ATOM 0 H SER A 17 -3.390 12.595 3.622 1.00 0.00 H new ATOM 0 HA SER A 17 -5.672 12.686 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.128 11.760 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.778 11.015 5.472 1.00 0.00 H new ATOM 0 HG SER A 17 -2.054 12.472 5.155 1.00 0.00 H new ATOM 234 N GLU A 18 -3.450 15.054 5.768 1.00 0.00 N ATOM 235 CA GLU A 18 -3.184 16.389 6.384 1.00 0.00 C ATOM 236 C GLU A 18 -4.075 17.486 5.750 1.00 0.00 C ATOM 237 O GLU A 18 -4.031 18.637 6.140 1.00 0.00 O ATOM 238 CB GLU A 18 -1.694 16.692 6.169 1.00 0.00 C ATOM 239 CG GLU A 18 -1.279 17.993 6.888 1.00 0.00 C ATOM 240 CD GLU A 18 0.226 18.237 6.680 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.575 18.515 5.544 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.942 18.132 7.665 1.00 0.00 O ATOM 0 H GLU A 18 -2.721 14.732 5.131 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.424 16.376 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.094 15.861 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.489 16.782 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.852 18.835 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.503 17.920 7.952 1.00 0.00 H new ATOM 249 N TYR A 19 -4.866 17.091 4.790 1.00 0.00 N ATOM 250 CA TYR A 19 -5.785 18.032 4.077 1.00 0.00 C ATOM 251 C TYR A 19 -7.236 17.809 4.453 1.00 0.00 C ATOM 252 O TYR A 19 -7.985 18.761 4.528 1.00 0.00 O ATOM 253 CB TYR A 19 -5.620 17.842 2.561 1.00 0.00 C ATOM 254 CG TYR A 19 -4.700 18.936 2.023 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.434 19.079 2.543 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.118 19.784 1.016 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.594 20.056 2.063 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.279 20.758 0.537 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.006 20.905 1.056 1.00 0.00 C ATOM 260 OH TYR A 19 -2.163 21.886 0.576 1.00 0.00 O ATOM 0 H TYR A 19 -4.916 16.127 4.459 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.519 19.047 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.201 16.859 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.591 17.889 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.099 18.421 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.111 19.680 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.602 20.160 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.615 21.415 -0.251 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.617 22.390 -0.132 1.00 0.00 H new ATOM 270 N ARG A 20 -7.593 16.568 4.660 1.00 0.00 N ATOM 271 CA ARG A 20 -8.997 16.228 5.040 1.00 0.00 C ATOM 272 C ARG A 20 -9.651 17.317 5.910 1.00 0.00 C ATOM 273 O ARG A 20 -10.546 17.963 5.413 1.00 0.00 O ATOM 274 CB ARG A 20 -8.998 14.851 5.764 1.00 0.00 C ATOM 275 CG ARG A 20 -8.676 13.771 4.720 1.00 0.00 C ATOM 276 CD ARG A 20 -9.080 12.390 5.236 1.00 0.00 C ATOM 277 NE ARG A 20 -8.846 11.437 4.109 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.841 10.831 3.513 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.990 11.440 3.376 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.638 9.627 3.061 1.00 0.00 N ATOM 0 H ARG A 20 -6.966 15.768 4.581 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.598 16.170 4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.259 14.840 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.968 14.661 6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.203 13.987 3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.610 13.783 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.489 12.113 6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.126 12.380 5.543 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.892 11.255 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.111 12.388 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.765 10.968 2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.726 9.186 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.391 9.125 2.591 1.00 0.00 H new ATOM 294 N PRO A 21 -9.225 17.544 7.134 1.00 0.00 N ATOM 295 CA PRO A 21 -9.879 18.526 8.057 1.00 0.00 C ATOM 296 C PRO A 21 -10.016 19.953 7.475 1.00 0.00 C ATOM 297 O PRO A 21 -10.861 20.720 7.895 1.00 0.00 O ATOM 298 CB PRO A 21 -9.010 18.473 9.317 1.00 0.00 C ATOM 299 CG PRO A 21 -7.636 18.030 8.769 1.00 0.00 C ATOM 300 CD PRO A 21 -8.038 16.921 7.791 1.00 0.00 C ATOM 0 HA PRO A 21 -10.919 18.262 8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.954 19.443 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.401 17.765 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.111 18.845 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.979 17.663 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.245 16.690 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.289 15.991 8.301 1.00 0.00 H new ATOM 308 N LYS A 22 -9.170 20.246 6.522 1.00 0.00 N ATOM 309 CA LYS A 22 -9.134 21.576 5.837 1.00 0.00 C ATOM 310 C LYS A 22 -10.223 21.733 4.762 1.00 0.00 C ATOM 311 O LYS A 22 -10.769 22.806 4.604 1.00 0.00 O ATOM 312 CB LYS A 22 -7.749 21.744 5.179 1.00 0.00 C ATOM 313 CG LYS A 22 -7.506 23.203 4.733 1.00 0.00 C ATOM 314 CD LYS A 22 -6.295 23.236 3.766 1.00 0.00 C ATOM 315 CE LYS A 22 -5.927 24.690 3.413 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.106 25.410 2.851 1.00 0.00 N ATOM 0 H LYS A 22 -8.472 19.588 6.175 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.321 22.341 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.972 21.443 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.672 21.081 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.393 23.599 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.314 23.835 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.441 22.740 4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.533 22.684 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.570 25.207 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.111 24.699 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.799 26.319 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.543 24.832 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.800 25.583 3.606 1.00 0.00 H new ATOM 330 N ILE A 23 -10.526 20.671 4.062 1.00 0.00 N ATOM 331 CA ILE A 23 -11.571 20.745 2.982 1.00 0.00 C ATOM 332 C ILE A 23 -12.889 20.279 3.557 1.00 0.00 C ATOM 333 O ILE A 23 -13.954 20.630 3.108 1.00 0.00 O ATOM 334 CB ILE A 23 -11.202 19.834 1.781 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.763 19.281 1.937 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.332 20.697 0.508 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.394 18.424 0.750 1.00 0.00 C ATOM 0 H ILE A 23 -10.099 19.753 4.187 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.637 21.774 2.629 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.865 18.971 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.058 20.107 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.690 18.695 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.081 20.096 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.356 21.060 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.651 21.546 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.380 18.044 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.088 17.587 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.447 19.021 -0.160 1.00 0.00 H new ATOM 349 N LYS A 24 -12.726 19.468 4.548 1.00 0.00 N ATOM 350 CA LYS A 24 -13.840 18.864 5.313 1.00 0.00 C ATOM 351 C LYS A 24 -14.292 19.872 6.385 1.00 0.00 C ATOM 352 O LYS A 24 -15.357 19.744 6.957 1.00 0.00 O ATOM 353 CB LYS A 24 -13.285 17.605 5.915 1.00 0.00 C ATOM 354 CG LYS A 24 -14.363 16.769 6.632 1.00 0.00 C ATOM 355 CD LYS A 24 -13.730 15.441 7.121 1.00 0.00 C ATOM 356 CE LYS A 24 -13.392 14.525 5.921 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.646 14.111 5.227 1.00 0.00 N ATOM 0 H LYS A 24 -11.806 19.181 4.880 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.712 18.628 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.825 17.003 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.498 17.861 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.771 17.325 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.192 16.564 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.825 15.651 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.419 14.929 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.738 15.050 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.850 13.645 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.460 13.268 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.377 13.891 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.977 14.885 4.616 1.00 0.00 H new ATOM 371 N GLY A 25 -13.447 20.844 6.611 1.00 0.00 N ATOM 372 CA GLY A 25 -13.725 21.913 7.620 1.00 0.00 C ATOM 373 C GLY A 25 -14.292 23.147 6.909 1.00 0.00 C ATOM 374 O GLY A 25 -15.100 23.864 7.466 1.00 0.00 O ATOM 0 H GLY A 25 -12.555 20.945 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.434 21.551 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.810 22.174 8.152 1.00 0.00 H new ATOM 378 N GLU A 26 -13.842 23.345 5.696 1.00 0.00 N ATOM 379 CA GLU A 26 -14.297 24.501 4.870 1.00 0.00 C ATOM 380 C GLU A 26 -15.443 24.065 3.952 1.00 0.00 C ATOM 381 O GLU A 26 -16.397 24.795 3.756 1.00 0.00 O ATOM 382 CB GLU A 26 -13.118 25.005 4.013 1.00 0.00 C ATOM 383 CG GLU A 26 -11.956 25.495 4.915 1.00 0.00 C ATOM 384 CD GLU A 26 -12.257 26.818 5.660 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.298 27.415 5.428 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.393 27.165 6.448 1.00 0.00 O ATOM 0 H GLU A 26 -13.163 22.739 5.235 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.647 25.299 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.767 24.205 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.452 25.818 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.726 24.721 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.065 25.629 4.302 1.00 0.00 H new ATOM 393 N HIS A 27 -15.301 22.878 3.423 1.00 0.00 N ATOM 394 CA HIS A 27 -16.323 22.291 2.495 1.00 0.00 C ATOM 395 C HIS A 27 -16.771 20.886 2.952 1.00 0.00 C ATOM 396 O HIS A 27 -16.405 19.890 2.356 1.00 0.00 O ATOM 397 CB HIS A 27 -15.698 22.235 1.072 1.00 0.00 C ATOM 398 CG HIS A 27 -15.107 23.616 0.770 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.793 24.700 0.622 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.790 24.017 0.602 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.997 25.692 0.386 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.742 25.314 0.363 1.00 0.00 N ATOM 0 H HIS A 27 -14.499 22.273 3.598 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.216 22.916 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.924 21.469 1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.454 21.972 0.332 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.931 23.365 0.658 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.326 26.708 0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.917 25.891 0.198 1.00 0.00 H new ATOM 410 N PRO A 28 -17.558 20.837 4.004 1.00 0.00 N ATOM 411 CA PRO A 28 -18.239 19.587 4.450 1.00 0.00 C ATOM 412 C PRO A 28 -19.451 19.287 3.536 1.00 0.00 C ATOM 413 O PRO A 28 -20.537 18.982 3.988 1.00 0.00 O ATOM 414 CB PRO A 28 -18.595 19.898 5.905 1.00 0.00 C ATOM 415 CG PRO A 28 -18.945 21.407 5.839 1.00 0.00 C ATOM 416 CD PRO A 28 -17.868 21.992 4.891 1.00 0.00 C ATOM 0 HA PRO A 28 -17.640 18.679 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.436 19.300 6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.761 19.702 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -19.951 21.568 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.906 21.871 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.244 22.847 4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.988 22.332 5.437 1.00 0.00 H new ATOM 424 N GLY A 29 -19.183 19.393 2.258 1.00 0.00 N ATOM 425 CA GLY A 29 -20.174 19.156 1.177 1.00 0.00 C ATOM 426 C GLY A 29 -19.597 18.153 0.169 1.00 0.00 C ATOM 427 O GLY A 29 -20.296 17.719 -0.728 1.00 0.00 O ATOM 0 H GLY A 29 -18.260 19.650 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.103 18.772 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.414 20.094 0.677 1.00 0.00 H new ATOM 431 N LEU A 30 -18.342 17.816 0.344 1.00 0.00 N ATOM 432 CA LEU A 30 -17.666 16.855 -0.563 1.00 0.00 C ATOM 433 C LEU A 30 -17.836 15.412 -0.060 1.00 0.00 C ATOM 434 O LEU A 30 -18.300 15.157 1.033 1.00 0.00 O ATOM 435 CB LEU A 30 -16.158 17.200 -0.626 1.00 0.00 C ATOM 436 CG LEU A 30 -15.870 18.670 -1.024 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.351 18.840 -1.257 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.660 19.116 -2.278 1.00 0.00 C ATOM 0 H LEU A 30 -17.752 18.177 1.094 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.116 16.930 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.708 17.002 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.673 16.537 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.202 19.309 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.139 19.872 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.813 18.595 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.029 18.173 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.419 20.153 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.389 18.483 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.729 19.026 -2.085 1.00 0.00 H new ATOM 450 N SER A 31 -17.434 14.537 -0.935 1.00 0.00 N ATOM 451 CA SER A 31 -17.463 13.059 -0.750 1.00 0.00 C ATOM 452 C SER A 31 -16.021 12.554 -0.768 1.00 0.00 C ATOM 453 O SER A 31 -15.102 13.329 -0.903 1.00 0.00 O ATOM 454 CB SER A 31 -18.235 12.404 -1.902 1.00 0.00 C ATOM 455 OG SER A 31 -17.481 12.695 -3.075 1.00 0.00 O ATOM 0 H SER A 31 -17.057 14.812 -1.842 1.00 0.00 H new ATOM 0 HA SER A 31 -17.951 12.810 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.328 11.328 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.246 12.804 -1.975 1.00 0.00 H new ATOM 0 HG SER A 31 -17.924 12.300 -3.855 1.00 0.00 H new ATOM 461 N ILE A 32 -15.861 11.264 -0.650 1.00 0.00 N ATOM 462 CA ILE A 32 -14.497 10.653 -0.661 1.00 0.00 C ATOM 463 C ILE A 32 -13.951 10.612 -2.099 1.00 0.00 C ATOM 464 O ILE A 32 -12.840 10.192 -2.355 1.00 0.00 O ATOM 465 CB ILE A 32 -14.640 9.249 -0.059 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.282 8.504 0.041 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.624 8.382 -0.898 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.241 9.313 0.840 1.00 0.00 C ATOM 0 H ILE A 32 -16.626 10.598 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.785 11.236 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.031 9.391 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.433 7.536 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.900 8.310 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.708 7.392 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.605 8.857 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.249 8.289 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.305 8.756 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.070 10.271 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.611 9.485 1.851 1.00 0.00 H new ATOM 480 N GLY A 33 -14.789 11.069 -2.983 1.00 0.00 N ATOM 481 CA GLY A 33 -14.459 11.121 -4.439 1.00 0.00 C ATOM 482 C GLY A 33 -14.293 12.575 -4.875 1.00 0.00 C ATOM 483 O GLY A 33 -13.839 12.848 -5.967 1.00 0.00 O ATOM 0 H GLY A 33 -15.719 11.420 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.542 10.565 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.250 10.645 -5.019 1.00 0.00 H new ATOM 487 N ASP A 34 -14.655 13.465 -3.986 1.00 0.00 N ATOM 488 CA ASP A 34 -14.566 14.927 -4.243 1.00 0.00 C ATOM 489 C ASP A 34 -13.357 15.425 -3.483 1.00 0.00 C ATOM 490 O ASP A 34 -12.525 16.104 -4.034 1.00 0.00 O ATOM 491 CB ASP A 34 -15.830 15.592 -3.730 1.00 0.00 C ATOM 492 CG ASP A 34 -17.119 15.164 -4.462 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.034 14.456 -5.454 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.145 15.589 -3.958 1.00 0.00 O ATOM 0 H ASP A 34 -15.020 13.226 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.468 15.153 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.938 15.368 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.719 16.673 -3.818 1.00 0.00 H new ATOM 499 N VAL A 35 -13.288 15.076 -2.232 1.00 0.00 N ATOM 500 CA VAL A 35 -12.149 15.479 -1.360 1.00 0.00 C ATOM 501 C VAL A 35 -10.882 14.961 -2.052 1.00 0.00 C ATOM 502 O VAL A 35 -9.835 15.576 -2.040 1.00 0.00 O ATOM 503 CB VAL A 35 -12.366 14.810 0.025 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.114 14.886 0.921 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.515 15.516 0.765 1.00 0.00 C ATOM 0 H VAL A 35 -13.995 14.511 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.068 16.556 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.595 13.761 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.321 14.404 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.284 14.378 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.851 15.930 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.666 15.045 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.265 16.568 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.430 15.436 0.177 1.00 0.00 H new ATOM 515 N ALA A 36 -11.079 13.821 -2.658 1.00 0.00 N ATOM 516 CA ALA A 36 -10.010 13.109 -3.389 1.00 0.00 C ATOM 517 C ALA A 36 -9.689 13.714 -4.749 1.00 0.00 C ATOM 518 O ALA A 36 -8.525 13.894 -5.047 1.00 0.00 O ATOM 519 CB ALA A 36 -10.464 11.667 -3.525 1.00 0.00 C ATOM 0 H ALA A 36 -11.979 13.341 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.079 13.190 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.706 11.096 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.610 11.237 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.403 11.632 -4.078 1.00 0.00 H new ATOM 525 N LYS A 37 -10.676 14.014 -5.555 1.00 0.00 N ATOM 526 CA LYS A 37 -10.344 14.613 -6.888 1.00 0.00 C ATOM 527 C LYS A 37 -9.970 16.099 -6.761 1.00 0.00 C ATOM 528 O LYS A 37 -9.185 16.619 -7.528 1.00 0.00 O ATOM 529 CB LYS A 37 -11.550 14.471 -7.844 1.00 0.00 C ATOM 530 CG LYS A 37 -11.364 13.201 -8.700 1.00 0.00 C ATOM 531 CD LYS A 37 -12.514 13.099 -9.723 1.00 0.00 C ATOM 532 CE LYS A 37 -12.159 12.032 -10.781 1.00 0.00 C ATOM 533 NZ LYS A 37 -13.262 11.908 -11.775 1.00 0.00 N ATOM 0 H LYS A 37 -11.668 13.877 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.485 14.075 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.477 14.409 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.628 15.349 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.405 13.235 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.351 12.318 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.443 12.833 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.677 14.064 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.233 12.304 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.987 11.071 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.013 11.187 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.138 11.628 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.407 12.822 -12.249 1.00 0.00 H new ATOM 547 N LYS A 38 -10.527 16.763 -5.789 1.00 0.00 N ATOM 548 CA LYS A 38 -10.226 18.197 -5.603 1.00 0.00 C ATOM 549 C LYS A 38 -8.804 18.327 -5.079 1.00 0.00 C ATOM 550 O LYS A 38 -8.005 19.019 -5.673 1.00 0.00 O ATOM 551 CB LYS A 38 -11.227 18.795 -4.593 1.00 0.00 C ATOM 552 CG LYS A 38 -11.173 20.333 -4.662 1.00 0.00 C ATOM 553 CD LYS A 38 -11.795 20.801 -6.008 1.00 0.00 C ATOM 554 CE LYS A 38 -10.839 21.755 -6.738 1.00 0.00 C ATOM 555 NZ LYS A 38 -10.592 22.967 -5.908 1.00 0.00 N ATOM 0 H LYS A 38 -11.181 16.366 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.315 18.735 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.235 18.446 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.987 18.457 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.719 20.767 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.142 20.678 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.007 19.937 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.746 21.301 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.896 21.249 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.265 22.044 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.225 23.731 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.482 23.272 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.896 22.745 -5.168 1.00 0.00 H new ATOM 569 N LEU A 39 -8.503 17.652 -4.000 1.00 0.00 N ATOM 570 CA LEU A 39 -7.126 17.755 -3.447 1.00 0.00 C ATOM 571 C LEU A 39 -6.180 16.906 -4.310 1.00 0.00 C ATOM 572 O LEU A 39 -5.019 17.236 -4.432 1.00 0.00 O ATOM 573 CB LEU A 39 -7.281 17.343 -1.934 1.00 0.00 C ATOM 574 CG LEU A 39 -6.686 16.002 -1.525 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.187 16.210 -1.325 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.272 15.555 -0.163 1.00 0.00 C ATOM 0 H LEU A 39 -9.141 17.044 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.669 18.744 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.823 18.119 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.344 17.332 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.905 15.254 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.725 15.268 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.740 16.557 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.024 16.954 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.841 14.595 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.034 16.299 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.354 15.456 -0.247 1.00 0.00 H new ATOM 588 N GLY A 40 -6.671 15.850 -4.902 1.00 0.00 N ATOM 589 CA GLY A 40 -5.793 14.992 -5.759 1.00 0.00 C ATOM 590 C GLY A 40 -5.232 15.790 -6.931 1.00 0.00 C ATOM 591 O GLY A 40 -4.177 15.471 -7.444 1.00 0.00 O ATOM 0 H GLY A 40 -7.641 15.542 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.974 14.591 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.362 14.141 -6.132 1.00 0.00 H new ATOM 595 N GLU A 41 -5.954 16.809 -7.319 1.00 0.00 N ATOM 596 CA GLU A 41 -5.501 17.663 -8.443 1.00 0.00 C ATOM 597 C GLU A 41 -4.571 18.698 -7.824 1.00 0.00 C ATOM 598 O GLU A 41 -3.525 18.961 -8.384 1.00 0.00 O ATOM 599 CB GLU A 41 -6.743 18.287 -9.085 1.00 0.00 C ATOM 600 CG GLU A 41 -7.471 17.318 -10.097 1.00 0.00 C ATOM 601 CD GLU A 41 -7.245 15.797 -9.858 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.158 15.344 -10.177 1.00 0.00 O ATOM 603 OE2 GLU A 41 -8.158 15.151 -9.373 1.00 0.00 O ATOM 0 H GLU A 41 -6.842 17.083 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.968 17.125 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.443 18.577 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.455 19.199 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.542 17.518 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.139 17.561 -11.106 1.00 0.00 H new ATOM 610 N MET A 42 -4.959 19.254 -6.698 1.00 0.00 N ATOM 611 CA MET A 42 -4.092 20.275 -6.018 1.00 0.00 C ATOM 612 C MET A 42 -2.680 19.710 -5.896 1.00 0.00 C ATOM 613 O MET A 42 -1.702 20.393 -6.110 1.00 0.00 O ATOM 614 CB MET A 42 -4.604 20.554 -4.643 1.00 0.00 C ATOM 615 CG MET A 42 -5.942 21.293 -4.702 1.00 0.00 C ATOM 616 SD MET A 42 -5.945 22.978 -5.368 1.00 0.00 S ATOM 617 CE MET A 42 -6.582 22.614 -7.023 1.00 0.00 C ATOM 0 H MET A 42 -5.836 19.046 -6.221 1.00 0.00 H new ATOM 0 HA MET A 42 -4.098 21.195 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.724 19.618 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.877 21.152 -4.094 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.629 20.695 -5.300 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.349 21.331 -3.692 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.198 23.349 -7.730 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.261 21.617 -7.325 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.671 22.656 -7.011 1.00 0.00 H new ATOM 627 N TRP A 43 -2.664 18.455 -5.527 1.00 0.00 N ATOM 628 CA TRP A 43 -1.428 17.654 -5.345 1.00 0.00 C ATOM 629 C TRP A 43 -0.554 17.789 -6.578 1.00 0.00 C ATOM 630 O TRP A 43 0.619 18.099 -6.494 1.00 0.00 O ATOM 631 CB TRP A 43 -1.850 16.216 -5.142 1.00 0.00 C ATOM 632 CG TRP A 43 -0.635 15.309 -5.219 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.432 14.446 -6.241 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.384 15.233 -4.343 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.711 13.892 -5.921 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.291 14.290 -4.802 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.628 15.898 -3.148 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.436 14.004 -4.074 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.773 15.617 -2.412 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.681 14.668 -2.874 1.00 0.00 C ATOM 0 H TRP A 43 -3.516 17.928 -5.335 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.853 18.000 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.339 16.104 -4.174 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.578 15.930 -5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.055 14.261 -7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.138 13.180 -6.513 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.074 16.636 -2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.137 13.267 -4.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.958 16.134 -1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.572 14.447 -2.304 1.00 0.00 H new ATOM 651 N ASN A 44 -1.197 17.553 -7.691 1.00 0.00 N ATOM 652 CA ASN A 44 -0.475 17.636 -8.995 1.00 0.00 C ATOM 653 C ASN A 44 0.083 19.050 -9.245 1.00 0.00 C ATOM 654 O ASN A 44 0.901 19.250 -10.123 1.00 0.00 O ATOM 655 CB ASN A 44 -1.442 17.220 -10.143 1.00 0.00 C ATOM 656 CG ASN A 44 -1.939 15.785 -9.878 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.209 15.508 -9.995 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.170 14.897 -9.564 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.185 17.308 -7.754 1.00 0.00 H new ATOM 0 HA ASN A 44 0.375 16.954 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.286 17.908 -10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.931 17.271 -11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.174 15.095 -9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.521 13.954 -9.397 1.00 0.00 H new ATOM 665 N ASN A 45 -0.398 19.976 -8.452 1.00 0.00 N ATOM 666 CA ASN A 45 0.021 21.419 -8.527 1.00 0.00 C ATOM 667 C ASN A 45 0.422 21.922 -7.114 1.00 0.00 C ATOM 668 O ASN A 45 0.227 23.080 -6.800 1.00 0.00 O ATOM 669 CB ASN A 45 -1.166 22.258 -9.057 1.00 0.00 C ATOM 670 CG ASN A 45 -1.918 21.483 -10.138 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.139 21.108 -9.865 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.412 21.213 -11.209 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.090 19.787 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 45 0.875 21.520 -9.197 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.842 22.503 -8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.801 23.202 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.458 21.511 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.941 20.689 -11.905 1.00 0.00 H new ATOM 679 N THR A 46 0.988 21.058 -6.296 1.00 0.00 N ATOM 680 CA THR A 46 1.392 21.486 -4.909 1.00 0.00 C ATOM 681 C THR A 46 2.704 22.276 -4.945 1.00 0.00 C ATOM 682 O THR A 46 2.974 23.045 -4.044 1.00 0.00 O ATOM 683 CB THR A 46 1.537 20.213 -4.005 1.00 0.00 C ATOM 684 OG1 THR A 46 1.803 20.737 -2.711 1.00 0.00 O ATOM 685 CG2 THR A 46 2.797 19.369 -4.294 1.00 0.00 C ATOM 0 H THR A 46 1.187 20.084 -6.525 1.00 0.00 H new ATOM 0 HA THR A 46 0.625 22.140 -4.495 1.00 0.00 H new ATOM 0 HB THR A 46 0.650 19.596 -4.148 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.907 19.999 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.820 18.508 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.775 19.025 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.687 19.977 -4.133 1.00 0.00 H new ATOM 693 N ALA A 47 3.437 22.030 -6.002 1.00 0.00 N ATOM 694 CA ALA A 47 4.768 22.656 -6.302 1.00 0.00 C ATOM 695 C ALA A 47 5.583 21.616 -7.058 1.00 0.00 C ATOM 696 O ALA A 47 6.126 21.895 -8.108 1.00 0.00 O ATOM 697 CB ALA A 47 5.587 23.011 -5.028 1.00 0.00 C ATOM 0 H ALA A 47 3.143 21.370 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 47 4.583 23.578 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.537 23.459 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.024 23.718 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.775 22.105 -4.452 1.00 0.00 H new ATOM 703 N ALA A 48 5.607 20.458 -6.446 1.00 0.00 N ATOM 704 CA ALA A 48 6.320 19.217 -6.898 1.00 0.00 C ATOM 705 C ALA A 48 7.432 19.116 -5.849 1.00 0.00 C ATOM 706 O ALA A 48 7.793 18.053 -5.387 1.00 0.00 O ATOM 707 CB ALA A 48 6.972 19.341 -8.295 1.00 0.00 C ATOM 0 H ALA A 48 5.111 20.314 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 48 5.641 18.368 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.467 18.404 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.204 19.559 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.705 20.147 -8.284 1.00 0.00 H new ATOM 713 N ASP A 49 7.918 20.286 -5.502 1.00 0.00 N ATOM 714 CA ASP A 49 9.004 20.438 -4.500 1.00 0.00 C ATOM 715 C ASP A 49 8.393 20.294 -3.092 1.00 0.00 C ATOM 716 O ASP A 49 9.103 20.220 -2.107 1.00 0.00 O ATOM 717 CB ASP A 49 9.644 21.831 -4.701 1.00 0.00 C ATOM 718 CG ASP A 49 10.170 22.043 -6.149 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.066 21.141 -6.968 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.665 23.137 -6.357 1.00 0.00 O ATOM 0 H ASP A 49 7.588 21.169 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 49 9.775 19.676 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.909 22.602 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.467 21.954 -3.997 1.00 0.00 H new ATOM 725 N ASP A 50 7.084 20.253 -3.068 1.00 0.00 N ATOM 726 CA ASP A 50 6.296 20.108 -1.808 1.00 0.00 C ATOM 727 C ASP A 50 5.778 18.666 -1.775 1.00 0.00 C ATOM 728 O ASP A 50 5.186 18.244 -0.800 1.00 0.00 O ATOM 729 CB ASP A 50 5.106 21.095 -1.801 1.00 0.00 C ATOM 730 CG ASP A 50 5.406 22.250 -0.828 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.458 21.962 0.357 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.568 23.353 -1.323 1.00 0.00 O ATOM 0 H ASP A 50 6.508 20.317 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 50 6.914 20.327 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.937 21.485 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.194 20.580 -1.501 1.00 0.00 H new ATOM 737 N LYS A 51 6.026 17.956 -2.850 1.00 0.00 N ATOM 738 CA LYS A 51 5.584 16.537 -2.937 1.00 0.00 C ATOM 739 C LYS A 51 6.783 15.841 -2.341 1.00 0.00 C ATOM 740 O LYS A 51 6.601 15.074 -1.428 1.00 0.00 O ATOM 741 CB LYS A 51 5.431 16.005 -4.369 1.00 0.00 C ATOM 742 CG LYS A 51 4.301 16.690 -5.112 1.00 0.00 C ATOM 743 CD LYS A 51 4.258 16.090 -6.520 1.00 0.00 C ATOM 744 CE LYS A 51 3.114 16.725 -7.316 1.00 0.00 C ATOM 745 NZ LYS A 51 3.182 16.293 -8.741 1.00 0.00 N ATOM 0 H LYS A 51 6.518 18.305 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 51 4.611 16.394 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.364 16.153 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.247 14.931 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.352 16.535 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.467 17.766 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.207 16.262 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.118 15.011 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.156 16.435 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.176 17.811 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.513 16.854 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.147 16.437 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.933 15.286 -8.811 1.00 0.00 H new ATOM 759 N GLN A 52 7.954 16.123 -2.876 1.00 0.00 N ATOM 760 CA GLN A 52 9.232 15.508 -2.378 1.00 0.00 C ATOM 761 C GLN A 52 9.176 14.948 -0.935 1.00 0.00 C ATOM 762 O GLN A 52 9.375 13.765 -0.783 1.00 0.00 O ATOM 763 CB GLN A 52 10.373 16.577 -2.497 1.00 0.00 C ATOM 764 CG GLN A 52 11.191 16.331 -3.792 1.00 0.00 C ATOM 765 CD GLN A 52 10.351 16.589 -5.049 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.434 17.639 -5.656 1.00 0.00 O ATOM 767 NE2 GLN A 52 9.529 15.669 -5.474 1.00 0.00 N ATOM 0 H GLN A 52 8.078 16.769 -3.655 1.00 0.00 H new ATOM 0 HA GLN A 52 9.422 14.637 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.945 17.579 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.027 16.522 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.066 16.981 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.556 15.304 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.451 14.784 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.965 15.835 -6.307 1.00 0.00 H new ATOM 776 N PRO A 53 8.906 15.749 0.075 1.00 0.00 N ATOM 777 CA PRO A 53 8.742 15.266 1.485 1.00 0.00 C ATOM 778 C PRO A 53 7.861 14.011 1.639 1.00 0.00 C ATOM 779 O PRO A 53 8.225 13.046 2.283 1.00 0.00 O ATOM 780 CB PRO A 53 8.180 16.490 2.231 1.00 0.00 C ATOM 781 CG PRO A 53 7.622 17.383 1.097 1.00 0.00 C ATOM 782 CD PRO A 53 8.686 17.220 0.004 1.00 0.00 C ATOM 0 HA PRO A 53 9.691 14.919 1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.400 16.206 2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.955 17.003 2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.640 17.050 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.516 18.421 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.330 17.541 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.592 17.788 0.216 1.00 0.00 H new ATOM 790 N TYR A 54 6.718 14.091 1.016 1.00 0.00 N ATOM 791 CA TYR A 54 5.708 12.983 1.040 1.00 0.00 C ATOM 792 C TYR A 54 6.108 11.865 0.081 1.00 0.00 C ATOM 793 O TYR A 54 6.046 10.695 0.404 1.00 0.00 O ATOM 794 CB TYR A 54 4.349 13.556 0.631 1.00 0.00 C ATOM 795 CG TYR A 54 3.953 14.670 1.602 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.829 14.413 2.951 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.714 15.947 1.134 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.471 15.421 3.816 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.357 16.953 1.998 1.00 0.00 C ATOM 800 CZ TYR A 54 3.231 16.699 3.350 1.00 0.00 C ATOM 801 OH TYR A 54 2.870 17.712 4.215 1.00 0.00 O ATOM 0 H TYR A 54 6.429 14.904 0.472 1.00 0.00 H new ATOM 0 HA TYR A 54 5.655 12.563 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.398 13.945 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.594 12.770 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.013 13.418 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.809 16.157 0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.377 15.211 4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.174 17.947 1.619 1.00 0.00 H new ATOM 0 HH TYR A 54 1.931 17.602 4.474 1.00 0.00 H new ATOM 811 N GLU A 55 6.495 12.277 -1.095 1.00 0.00 N ATOM 812 CA GLU A 55 6.929 11.322 -2.153 1.00 0.00 C ATOM 813 C GLU A 55 7.997 10.393 -1.566 1.00 0.00 C ATOM 814 O GLU A 55 7.888 9.189 -1.674 1.00 0.00 O ATOM 815 CB GLU A 55 7.470 12.147 -3.337 1.00 0.00 C ATOM 816 CG GLU A 55 6.719 11.739 -4.615 1.00 0.00 C ATOM 817 CD GLU A 55 7.274 12.524 -5.819 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.149 13.739 -5.794 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.797 11.866 -6.703 1.00 0.00 O ATOM 0 H GLU A 55 6.529 13.258 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 55 6.105 10.702 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.337 13.212 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.540 11.976 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.828 10.668 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.653 11.937 -4.500 1.00 0.00 H new ATOM 826 N LYS A 56 9.005 10.983 -0.972 1.00 0.00 N ATOM 827 CA LYS A 56 10.127 10.228 -0.333 1.00 0.00 C ATOM 828 C LYS A 56 9.556 9.059 0.479 1.00 0.00 C ATOM 829 O LYS A 56 10.075 7.961 0.464 1.00 0.00 O ATOM 830 CB LYS A 56 10.908 11.163 0.616 1.00 0.00 C ATOM 831 CG LYS A 56 11.871 12.134 -0.106 1.00 0.00 C ATOM 832 CD LYS A 56 13.173 11.399 -0.501 1.00 0.00 C ATOM 833 CE LYS A 56 14.280 12.434 -0.803 1.00 0.00 C ATOM 834 NZ LYS A 56 13.895 13.307 -1.950 1.00 0.00 N ATOM 0 H LYS A 56 9.098 11.996 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 56 10.794 9.852 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.197 11.744 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.480 10.556 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.390 12.540 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.104 12.977 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.489 10.738 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.998 10.773 -1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.461 13.046 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.213 11.918 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.709 13.889 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.598 12.715 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.109 13.926 -1.667 1.00 0.00 H new ATOM 848 N LYS A 57 8.474 9.352 1.162 1.00 0.00 N ATOM 849 CA LYS A 57 7.815 8.314 2.006 1.00 0.00 C ATOM 850 C LYS A 57 7.251 7.250 1.085 1.00 0.00 C ATOM 851 O LYS A 57 7.641 6.106 1.182 1.00 0.00 O ATOM 852 CB LYS A 57 6.676 8.957 2.851 1.00 0.00 C ATOM 853 CG LYS A 57 7.011 8.810 4.349 1.00 0.00 C ATOM 854 CD LYS A 57 8.199 9.731 4.718 1.00 0.00 C ATOM 855 CE LYS A 57 8.719 9.372 6.120 1.00 0.00 C ATOM 856 NZ LYS A 57 9.332 8.014 6.104 1.00 0.00 N ATOM 0 H LYS A 57 8.022 10.266 1.169 1.00 0.00 H new ATOM 0 HA LYS A 57 8.536 7.871 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.565 10.010 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.725 8.473 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.140 9.067 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.260 7.773 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.998 9.621 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.884 10.774 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.455 10.108 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.900 9.402 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.017 7.933 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.589 7.296 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.819 7.864 5.198 1.00 0.00 H new ATOM 870 N ALA A 58 6.355 7.654 0.222 1.00 0.00 N ATOM 871 CA ALA A 58 5.727 6.695 -0.745 1.00 0.00 C ATOM 872 C ALA A 58 6.784 5.726 -1.294 1.00 0.00 C ATOM 873 O ALA A 58 6.613 4.525 -1.263 1.00 0.00 O ATOM 874 CB ALA A 58 5.086 7.491 -1.894 1.00 0.00 C ATOM 0 H ALA A 58 6.026 8.616 0.143 1.00 0.00 H new ATOM 0 HA ALA A 58 4.961 6.111 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.627 6.802 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.325 8.160 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.852 8.077 -2.402 1.00 0.00 H new ATOM 880 N ALA A 59 7.858 6.306 -1.773 1.00 0.00 N ATOM 881 CA ALA A 59 8.990 5.519 -2.345 1.00 0.00 C ATOM 882 C ALA A 59 9.494 4.503 -1.309 1.00 0.00 C ATOM 883 O ALA A 59 9.447 3.318 -1.557 1.00 0.00 O ATOM 884 CB ALA A 59 10.114 6.495 -2.740 1.00 0.00 C ATOM 0 H ALA A 59 7.998 7.316 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 59 8.660 4.969 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.950 5.936 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.739 7.200 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.449 7.040 -1.858 1.00 0.00 H new ATOM 890 N LYS A 60 9.955 4.993 -0.183 1.00 0.00 N ATOM 891 CA LYS A 60 10.477 4.126 0.919 1.00 0.00 C ATOM 892 C LYS A 60 9.539 2.948 1.209 1.00 0.00 C ATOM 893 O LYS A 60 9.958 1.810 1.276 1.00 0.00 O ATOM 894 CB LYS A 60 10.645 4.996 2.186 1.00 0.00 C ATOM 895 CG LYS A 60 11.389 4.189 3.275 1.00 0.00 C ATOM 896 CD LYS A 60 11.444 5.002 4.583 1.00 0.00 C ATOM 897 CE LYS A 60 12.240 4.208 5.634 1.00 0.00 C ATOM 898 NZ LYS A 60 12.235 4.930 6.937 1.00 0.00 N ATOM 0 H LYS A 60 9.991 5.991 0.023 1.00 0.00 H new ATOM 0 HA LYS A 60 11.435 3.705 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.202 5.902 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.669 5.311 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.881 3.240 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.399 3.954 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.915 5.969 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.435 5.200 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.805 3.216 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.265 4.066 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.775 4.384 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.671 5.867 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.255 5.044 7.267 1.00 0.00 H new ATOM 912 N LEU A 61 8.278 3.257 1.368 1.00 0.00 N ATOM 913 CA LEU A 61 7.280 2.186 1.658 1.00 0.00 C ATOM 914 C LEU A 61 7.217 1.204 0.501 1.00 0.00 C ATOM 915 O LEU A 61 7.401 0.025 0.727 1.00 0.00 O ATOM 916 CB LEU A 61 5.929 2.861 1.904 1.00 0.00 C ATOM 917 CG LEU A 61 6.102 3.900 3.045 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.739 4.492 3.363 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.771 3.279 4.308 1.00 0.00 C ATOM 0 H LEU A 61 7.898 4.202 1.310 1.00 0.00 H new ATOM 0 HA LEU A 61 7.564 1.616 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.578 3.350 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.178 2.119 2.177 1.00 0.00 H new ATOM 0 HG LEU A 61 6.776 4.690 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.839 5.225 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.337 4.978 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.063 3.698 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.871 4.043 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.153 2.463 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.757 2.896 4.046 1.00 0.00 H new ATOM 931 N LYS A 62 6.957 1.679 -0.696 1.00 0.00 N ATOM 932 CA LYS A 62 6.893 0.755 -1.874 1.00 0.00 C ATOM 933 C LYS A 62 8.136 -0.140 -1.807 1.00 0.00 C ATOM 934 O LYS A 62 8.018 -1.338 -1.843 1.00 0.00 O ATOM 935 CB LYS A 62 6.899 1.567 -3.190 1.00 0.00 C ATOM 936 CG LYS A 62 6.262 0.673 -4.282 1.00 0.00 C ATOM 937 CD LYS A 62 6.303 1.386 -5.644 1.00 0.00 C ATOM 938 CE LYS A 62 5.404 0.634 -6.647 1.00 0.00 C ATOM 939 NZ LYS A 62 5.854 -0.780 -6.810 1.00 0.00 N ATOM 0 H LYS A 62 6.787 2.662 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 62 5.980 0.161 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.335 2.493 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.916 1.846 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.797 -0.275 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.231 0.441 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.964 2.416 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.327 1.424 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.371 0.653 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.426 1.140 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.673 -1.092 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.872 -0.846 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.331 -1.389 -6.149 1.00 0.00 H new ATOM 953 N GLU A 63 9.287 0.474 -1.695 1.00 0.00 N ATOM 954 CA GLU A 63 10.597 -0.242 -1.616 1.00 0.00 C ATOM 955 C GLU A 63 10.499 -1.384 -0.585 1.00 0.00 C ATOM 956 O GLU A 63 10.855 -2.512 -0.870 1.00 0.00 O ATOM 957 CB GLU A 63 11.691 0.793 -1.201 1.00 0.00 C ATOM 958 CG GLU A 63 13.126 0.299 -1.515 1.00 0.00 C ATOM 959 CD GLU A 63 14.126 1.353 -0.985 1.00 0.00 C ATOM 960 OE1 GLU A 63 14.224 1.440 0.230 1.00 0.00 O ATOM 961 OE2 GLU A 63 14.730 2.013 -1.815 1.00 0.00 O ATOM 0 H GLU A 63 9.374 1.489 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 63 10.859 -0.680 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.512 1.734 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.606 0.998 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.307 -0.667 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.254 0.160 -2.588 1.00 0.00 H new ATOM 968 N LYS A 64 10.007 -1.058 0.587 1.00 0.00 N ATOM 969 CA LYS A 64 9.881 -2.096 1.660 1.00 0.00 C ATOM 970 C LYS A 64 8.999 -3.259 1.173 1.00 0.00 C ATOM 971 O LYS A 64 9.389 -4.410 1.193 1.00 0.00 O ATOM 972 CB LYS A 64 9.273 -1.421 2.909 1.00 0.00 C ATOM 973 CG LYS A 64 9.389 -2.361 4.130 1.00 0.00 C ATOM 974 CD LYS A 64 8.816 -1.681 5.404 1.00 0.00 C ATOM 975 CE LYS A 64 9.594 -0.385 5.738 1.00 0.00 C ATOM 976 NZ LYS A 64 9.085 0.207 7.009 1.00 0.00 N ATOM 0 H LYS A 64 9.689 -0.124 0.846 1.00 0.00 H new ATOM 0 HA LYS A 64 10.858 -2.510 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.789 -0.483 3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.227 -1.176 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.851 -3.288 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.434 -2.627 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.762 -1.448 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.873 -2.371 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.658 -0.604 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.486 0.333 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.614 1.076 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.075 0.433 6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.210 -0.475 7.784 1.00 0.00 H new ATOM 990 N TYR A 65 7.823 -2.894 0.738 1.00 0.00 N ATOM 991 CA TYR A 65 6.825 -3.872 0.225 1.00 0.00 C ATOM 992 C TYR A 65 7.468 -4.767 -0.817 1.00 0.00 C ATOM 993 O TYR A 65 7.477 -5.971 -0.688 1.00 0.00 O ATOM 994 CB TYR A 65 5.635 -3.034 -0.334 1.00 0.00 C ATOM 995 CG TYR A 65 4.799 -3.771 -1.403 1.00 0.00 C ATOM 996 CD1 TYR A 65 4.070 -4.907 -1.115 1.00 0.00 C ATOM 997 CD2 TYR A 65 4.777 -3.283 -2.697 1.00 0.00 C ATOM 998 CE1 TYR A 65 3.335 -5.538 -2.094 1.00 0.00 C ATOM 999 CE2 TYR A 65 4.045 -3.913 -3.679 1.00 0.00 C ATOM 1000 CZ TYR A 65 3.315 -5.046 -3.383 1.00 0.00 C ATOM 1001 OH TYR A 65 2.572 -5.677 -4.360 1.00 0.00 O ATOM 0 H TYR A 65 7.505 -1.925 0.717 1.00 0.00 H new ATOM 0 HA TYR A 65 6.458 -4.542 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.983 -2.751 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.024 -2.111 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.076 -5.305 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.342 -2.395 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.770 -6.425 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.042 -3.519 -4.684 1.00 0.00 H new ATOM 0 HH TYR A 65 2.671 -5.196 -5.208 1.00 0.00 H new ATOM 1011 N GLU A 66 7.989 -4.117 -1.811 1.00 0.00 N ATOM 1012 CA GLU A 66 8.676 -4.753 -2.961 1.00 0.00 C ATOM 1013 C GLU A 66 9.722 -5.799 -2.572 1.00 0.00 C ATOM 1014 O GLU A 66 9.973 -6.709 -3.334 1.00 0.00 O ATOM 1015 CB GLU A 66 9.349 -3.672 -3.769 1.00 0.00 C ATOM 1016 CG GLU A 66 8.314 -2.679 -4.350 1.00 0.00 C ATOM 1017 CD GLU A 66 7.660 -3.227 -5.626 1.00 0.00 C ATOM 1018 OE1 GLU A 66 6.819 -4.100 -5.482 1.00 0.00 O ATOM 1019 OE2 GLU A 66 8.042 -2.739 -6.678 1.00 0.00 O ATOM 0 H GLU A 66 7.963 -3.099 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 66 7.911 -5.283 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.059 -3.134 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.919 -4.123 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.545 -2.476 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.803 -1.730 -4.570 1.00 0.00 H new ATOM 1026 N LYS A 67 10.294 -5.646 -1.407 1.00 0.00 N ATOM 1027 CA LYS A 67 11.336 -6.612 -0.943 1.00 0.00 C ATOM 1028 C LYS A 67 10.767 -7.778 -0.167 1.00 0.00 C ATOM 1029 O LYS A 67 11.301 -8.871 -0.169 1.00 0.00 O ATOM 1030 CB LYS A 67 12.359 -5.860 -0.064 1.00 0.00 C ATOM 1031 CG LYS A 67 13.522 -5.368 -0.934 1.00 0.00 C ATOM 1032 CD LYS A 67 13.085 -4.299 -1.961 1.00 0.00 C ATOM 1033 CE LYS A 67 14.197 -4.111 -2.998 1.00 0.00 C ATOM 1034 NZ LYS A 67 13.767 -3.123 -4.028 1.00 0.00 N ATOM 0 H LYS A 67 10.084 -4.891 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 67 11.809 -7.029 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.878 -5.015 0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.732 -6.518 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.300 -4.954 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.960 -6.215 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.162 -4.606 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.879 -3.355 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.108 -3.767 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.430 -5.065 -3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.526 -3.000 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.909 -3.468 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.566 -2.211 -3.571 1.00 0.00 H new ATOM 1048 N ASP A 68 9.681 -7.483 0.467 1.00 0.00 N ATOM 1049 CA ASP A 68 8.957 -8.471 1.293 1.00 0.00 C ATOM 1050 C ASP A 68 7.925 -9.189 0.456 1.00 0.00 C ATOM 1051 O ASP A 68 7.428 -10.223 0.855 1.00 0.00 O ATOM 1052 CB ASP A 68 8.276 -7.744 2.419 1.00 0.00 C ATOM 1053 CG ASP A 68 9.303 -7.243 3.454 1.00 0.00 C ATOM 1054 OD1 ASP A 68 10.113 -6.409 3.077 1.00 0.00 O ATOM 1055 OD2 ASP A 68 9.217 -7.726 4.572 1.00 0.00 O ATOM 0 H ASP A 68 9.248 -6.560 0.446 1.00 0.00 H new ATOM 0 HA ASP A 68 9.658 -9.206 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.712 -6.900 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.559 -8.407 2.904 1.00 0.00 H new ATOM 1060 N ILE A 69 7.644 -8.617 -0.681 1.00 0.00 N ATOM 1061 CA ILE A 69 6.643 -9.242 -1.578 1.00 0.00 C ATOM 1062 C ILE A 69 7.465 -10.090 -2.525 1.00 0.00 C ATOM 1063 O ILE A 69 7.102 -11.188 -2.888 1.00 0.00 O ATOM 1064 CB ILE A 69 5.848 -8.107 -2.297 1.00 0.00 C ATOM 1065 CG1 ILE A 69 4.731 -8.662 -3.189 1.00 0.00 C ATOM 1066 CG2 ILE A 69 6.742 -7.352 -3.263 1.00 0.00 C ATOM 1067 CD1 ILE A 69 4.074 -9.861 -2.556 1.00 0.00 C ATOM 0 H ILE A 69 8.062 -7.752 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 69 5.899 -9.859 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 69 5.456 -7.481 -1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.985 -7.887 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.141 -8.939 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.167 -6.566 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.574 -6.907 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.129 -8.040 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.286 -10.233 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.817 -10.644 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.643 -9.575 -1.596 1.00 0.00 H new ATOM 1079 N ALA A 70 8.579 -9.534 -2.890 1.00 0.00 N ATOM 1080 CA ALA A 70 9.508 -10.241 -3.809 1.00 0.00 C ATOM 1081 C ALA A 70 9.976 -11.480 -3.046 1.00 0.00 C ATOM 1082 O ALA A 70 10.250 -12.497 -3.648 1.00 0.00 O ATOM 1083 CB ALA A 70 10.718 -9.361 -4.149 1.00 0.00 C ATOM 0 H ALA A 70 8.891 -8.611 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 70 9.016 -10.491 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.383 -9.901 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.378 -8.445 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.254 -9.111 -3.234 1.00 0.00 H new ATOM 1089 N ALA A 71 10.040 -11.350 -1.743 1.00 0.00 N ATOM 1090 CA ALA A 71 10.481 -12.476 -0.871 1.00 0.00 C ATOM 1091 C ALA A 71 9.272 -13.380 -0.597 1.00 0.00 C ATOM 1092 O ALA A 71 9.398 -14.579 -0.440 1.00 0.00 O ATOM 1093 CB ALA A 71 11.029 -11.905 0.441 1.00 0.00 C ATOM 0 H ALA A 71 9.800 -10.495 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 71 11.265 -13.057 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.354 -12.722 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.875 -11.252 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.248 -11.335 0.944 1.00 0.00 H new ATOM 1099 N TYR A 72 8.118 -12.769 -0.542 1.00 0.00 N ATOM 1100 CA TYR A 72 6.861 -13.539 -0.283 1.00 0.00 C ATOM 1101 C TYR A 72 6.489 -14.472 -1.453 1.00 0.00 C ATOM 1102 O TYR A 72 6.067 -15.593 -1.251 1.00 0.00 O ATOM 1103 CB TYR A 72 5.722 -12.549 -0.057 1.00 0.00 C ATOM 1104 CG TYR A 72 4.369 -13.273 -0.029 1.00 0.00 C ATOM 1105 CD1 TYR A 72 4.112 -14.209 0.950 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.395 -13.000 -0.964 1.00 0.00 C ATOM 1107 CE1 TYR A 72 2.904 -14.863 1.004 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.185 -13.652 -0.916 1.00 0.00 C ATOM 1109 CZ TYR A 72 1.926 -14.588 0.068 1.00 0.00 C ATOM 1110 OH TYR A 72 0.710 -15.242 0.108 1.00 0.00 O ATOM 0 H TYR A 72 7.989 -11.765 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 72 7.027 -14.164 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.876 -12.019 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.723 -11.800 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.871 -14.432 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.582 -12.271 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.719 -15.592 1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.429 -13.430 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 72 0.143 -14.923 -0.625 1.00 0.00 H new ATOM 1120 N ARG A 73 6.663 -13.955 -2.636 1.00 0.00 N ATOM 1121 CA ARG A 73 6.349 -14.702 -3.886 1.00 0.00 C ATOM 1122 C ARG A 73 7.514 -15.590 -4.277 1.00 0.00 C ATOM 1123 O ARG A 73 7.348 -16.557 -4.996 1.00 0.00 O ATOM 1124 CB ARG A 73 6.056 -13.673 -4.996 1.00 0.00 C ATOM 1125 CG ARG A 73 4.810 -12.841 -4.615 1.00 0.00 C ATOM 1126 CD ARG A 73 4.615 -11.678 -5.607 1.00 0.00 C ATOM 1127 NE ARG A 73 4.542 -12.228 -6.996 1.00 0.00 N ATOM 1128 CZ ARG A 73 3.462 -12.084 -7.719 1.00 0.00 C ATOM 1129 NH1 ARG A 73 2.885 -10.915 -7.795 1.00 0.00 N ATOM 1130 NH2 ARG A 73 2.996 -13.128 -8.349 1.00 0.00 N ATOM 0 H ARG A 73 7.022 -13.013 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 73 5.481 -15.343 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.916 -13.017 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.889 -14.184 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.926 -13.478 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.922 -12.450 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.702 -11.131 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.441 -10.971 -5.525 1.00 0.00 H new ATOM 0 HE ARG A 73 5.345 -12.722 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.277 -10.119 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.042 -10.798 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.473 -14.026 -8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.155 -13.046 -8.920 1.00 0.00 H new ATOM 1144 N ALA A 74 8.659 -15.222 -3.775 1.00 0.00 N ATOM 1145 CA ALA A 74 9.881 -16.013 -4.081 1.00 0.00 C ATOM 1146 C ALA A 74 10.052 -17.149 -3.072 1.00 0.00 C ATOM 1147 O ALA A 74 10.707 -18.130 -3.370 1.00 0.00 O ATOM 1148 CB ALA A 74 11.100 -15.107 -4.028 1.00 0.00 C ATOM 0 H ALA A 74 8.801 -14.413 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 74 9.779 -16.440 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.995 -15.688 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.992 -14.308 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.189 -14.674 -3.032 1.00 0.00 H new ATOM 1154 N LYS A 75 9.462 -16.985 -1.912 1.00 0.00 N ATOM 1155 CA LYS A 75 9.580 -18.041 -0.855 1.00 0.00 C ATOM 1156 C LYS A 75 8.282 -18.293 -0.073 1.00 0.00 C ATOM 1157 O LYS A 75 7.800 -19.406 -0.029 1.00 0.00 O ATOM 1158 CB LYS A 75 10.707 -17.620 0.118 1.00 0.00 C ATOM 1159 CG LYS A 75 10.971 -18.758 1.143 1.00 0.00 C ATOM 1160 CD LYS A 75 12.166 -18.403 2.074 1.00 0.00 C ATOM 1161 CE LYS A 75 11.687 -17.862 3.444 1.00 0.00 C ATOM 1162 NZ LYS A 75 10.882 -16.617 3.295 1.00 0.00 N ATOM 0 H LYS A 75 8.906 -16.170 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 75 9.806 -18.982 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.618 -17.402 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.426 -16.706 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.076 -18.928 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.181 -19.687 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.782 -19.289 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.796 -17.657 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.090 -18.623 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.551 -17.663 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.637 -16.248 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.436 -15.905 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.011 -16.828 2.768 1.00 0.00 H new ATOM 1176 N GLY A 76 7.798 -17.224 0.511 1.00 0.00 N ATOM 1177 CA GLY A 76 6.546 -17.190 1.347 1.00 0.00 C ATOM 1178 C GLY A 76 5.661 -18.431 1.303 1.00 0.00 C ATOM 1179 O GLY A 76 5.926 -19.406 1.979 1.00 0.00 O ATOM 0 H GLY A 76 8.250 -16.312 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.833 -17.013 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.949 -16.334 1.031 1.00 0.00 H new ATOM 1183 N LYS A 77 4.637 -18.335 0.491 1.00 0.00 N ATOM 1184 CA LYS A 77 3.649 -19.455 0.312 1.00 0.00 C ATOM 1185 C LYS A 77 3.022 -19.882 1.670 1.00 0.00 C ATOM 1186 O LYS A 77 3.433 -19.399 2.706 1.00 0.00 O ATOM 1187 CB LYS A 77 4.424 -20.623 -0.372 1.00 0.00 C ATOM 1188 CG LYS A 77 5.162 -20.068 -1.624 1.00 0.00 C ATOM 1189 CD LYS A 77 5.977 -21.191 -2.291 1.00 0.00 C ATOM 1190 CE LYS A 77 6.816 -20.604 -3.444 1.00 0.00 C ATOM 1191 NZ LYS A 77 5.937 -19.992 -4.482 1.00 0.00 N ATOM 0 H LYS A 77 4.436 -17.508 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 77 2.808 -19.143 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.139 -21.061 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.734 -21.416 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.440 -19.661 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.822 -19.250 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.629 -21.666 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.308 -21.964 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.503 -19.853 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.424 -21.389 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.493 -19.803 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.161 -20.646 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.543 -19.100 -4.121 1.00 0.00 H new ATOM 1205 N PRO A 78 2.043 -20.762 1.663 1.00 0.00 N ATOM 1206 CA PRO A 78 1.615 -21.488 2.894 1.00 0.00 C ATOM 1207 C PRO A 78 2.606 -22.624 3.200 1.00 0.00 C ATOM 1208 O PRO A 78 2.255 -23.787 3.133 1.00 0.00 O ATOM 1209 CB PRO A 78 0.204 -21.956 2.548 1.00 0.00 C ATOM 1210 CG PRO A 78 0.358 -22.317 1.048 1.00 0.00 C ATOM 1211 CD PRO A 78 1.205 -21.148 0.486 1.00 0.00 C ATOM 0 HA PRO A 78 1.608 -20.891 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.102 -22.814 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.538 -21.174 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.858 -23.276 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.609 -22.389 0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.815 -21.460 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.581 -20.322 0.144 1.00 0.00 H new ATOM 1219 N ASP A 79 3.819 -22.235 3.528 1.00 0.00 N ATOM 1220 CA ASP A 79 4.918 -23.207 3.855 1.00 0.00 C ATOM 1221 C ASP A 79 4.889 -24.365 2.844 1.00 0.00 C ATOM 1222 O ASP A 79 4.682 -25.510 3.198 1.00 0.00 O ATOM 1223 CB ASP A 79 4.710 -23.737 5.306 1.00 0.00 C ATOM 1224 CG ASP A 79 4.770 -22.576 6.320 1.00 0.00 C ATOM 1225 OD1 ASP A 79 3.876 -21.746 6.263 1.00 0.00 O ATOM 1226 OD2 ASP A 79 5.713 -22.584 7.095 1.00 0.00 O ATOM 0 H ASP A 79 4.101 -21.256 3.584 1.00 0.00 H new ATOM 0 HA ASP A 79 5.889 -22.716 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.747 -24.243 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.477 -24.475 5.543 1.00 0.00 H new ATOM 1231 N ALA A 80 5.110 -23.971 1.610 1.00 0.00 N ATOM 1232 CA ALA A 80 5.127 -24.902 0.427 1.00 0.00 C ATOM 1233 C ALA A 80 4.392 -26.243 0.655 1.00 0.00 C ATOM 1234 O ALA A 80 4.988 -27.305 0.690 1.00 0.00 O ATOM 1235 CB ALA A 80 6.602 -25.159 0.060 1.00 0.00 C ATOM 0 H ALA A 80 5.287 -22.997 1.363 1.00 0.00 H new ATOM 0 HA ALA A 80 4.580 -24.418 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.652 -25.832 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.084 -24.214 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.114 -25.613 0.908 1.00 0.00 H new ATOM 1241 N ALA A 81 3.096 -26.125 0.805 1.00 0.00 N ATOM 1242 CA ALA A 81 2.212 -27.312 1.038 1.00 0.00 C ATOM 1243 C ALA A 81 1.306 -27.538 -0.185 1.00 0.00 C ATOM 1244 O ALA A 81 1.347 -28.647 -0.691 1.00 0.00 O ATOM 1245 CB ALA A 81 1.365 -27.047 2.294 1.00 0.00 C ATOM 1246 OXT ALA A 81 0.622 -26.593 -0.546 1.00 0.00 O ATOM 0 H ALA A 81 2.601 -25.234 0.775 1.00 0.00 H new ATOM 0 HA ALA A 81 2.814 -28.208 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.714 -27.901 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.022 -26.897 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.758 -26.154 2.142 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.243 10.377 -0.756 1.00 0.00 C HETATM 1254 C2 BME A 82 -6.923 10.201 -0.001 1.00 0.00 C HETATM 1255 O1 BME A 82 -9.172 9.632 0.016 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.807 10.955 1.639 1.00 0.00 S HETATM 0 HO1 BME A 82 -9.677 9.031 -0.570 1.00 0.00 H new HETATM 0 H22 BME A 82 -6.732 9.133 0.103 1.00 0.00 H new HETATM 0 H21 BME A 82 -6.123 10.609 -0.619 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.529 11.427 -0.824 1.00 0.00 H new HETATM 0 H11 BME A 82 -8.175 9.999 -1.776 1.00 0.00 H new