USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 778 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 29 SER OG : rot 76:sc= 0.00319 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.762 K(o=1.9,f=-1.9) USER MOD Set 1.3: B 116 THR OG1 : rot 86:sc= 1.18 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 SER OG : rot -110:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= -1.79! (180deg=-2.21!) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.614) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -52:sc= -5.37! USER MOD Single : A 26 SER OG : rot 180:sc= -1.13 USER MOD Single : A 33 GLN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.0351 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.0064) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 107:sc= 0.52 USER MOD Single : A 48 SER OG : rot 70:sc= -1.5 USER MOD Single : A 58 GLN : amide:sc= -0.194 K(o=-0.19,f=-3.5!) USER MOD Single : A 63 ASN : amide:sc= -0.087 X(o=-0.087,f=0.019) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.215 K(o=-0.22,f=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.0185 (180deg=-0.0313) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 43:sc= 1.15 USER MOD Single : A 86 THR OG1 : rot -28:sc= 0.807! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -32:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -3.861 -4.094 -16.000 1.00 0.00 N ATOM 2 CA LYS A 9 -4.273 -2.665 -16.016 1.00 0.00 C ATOM 3 C LYS A 9 -3.658 -1.902 -14.846 1.00 0.00 C ATOM 4 O LYS A 9 -4.368 -1.337 -14.014 1.00 0.00 O ATOM 5 CB LYS A 9 -5.801 -2.599 -15.950 1.00 0.00 C ATOM 6 CG LYS A 9 -6.399 -1.508 -16.823 1.00 0.00 C ATOM 7 CD LYS A 9 -6.820 -2.048 -18.179 1.00 0.00 C ATOM 8 CE LYS A 9 -8.111 -2.844 -18.087 1.00 0.00 C ATOM 9 NZ LYS A 9 -8.095 -4.033 -18.984 1.00 0.00 N ATOM 0 HA LYS A 9 -3.917 -2.198 -16.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.212 -3.562 -16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.105 -2.434 -14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.262 -1.071 -16.321 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.670 -0.709 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.951 -1.220 -18.876 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.029 -2.681 -18.581 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.265 -3.168 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.952 -2.203 -18.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.993 -4.549 -18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.973 -3.723 -19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.308 -4.658 -18.718 1.00 0.00 H new ATOM 25 N GLU A 10 -2.329 -1.889 -14.791 1.00 0.00 N ATOM 26 CA GLU A 10 -1.613 -1.195 -13.725 1.00 0.00 C ATOM 27 C GLU A 10 -1.980 0.285 -13.699 1.00 0.00 C ATOM 28 O GLU A 10 -2.131 0.916 -14.746 1.00 0.00 O ATOM 29 CB GLU A 10 -0.104 -1.354 -13.910 1.00 0.00 C ATOM 30 CG GLU A 10 0.338 -2.797 -14.089 1.00 0.00 C ATOM 31 CD GLU A 10 1.387 -2.954 -15.171 1.00 0.00 C ATOM 32 OE1 GLU A 10 1.098 -2.600 -16.335 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.499 -3.430 -14.858 1.00 0.00 O ATOM 0 H GLU A 10 -1.726 -2.351 -15.472 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.905 -1.641 -12.774 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.210 -0.776 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.406 -0.931 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.735 -3.171 -13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.528 -3.411 -14.336 1.00 0.00 H new ATOM 40 N LYS A 11 -2.121 0.837 -12.498 1.00 0.00 N ATOM 41 CA LYS A 11 -2.471 2.245 -12.343 1.00 0.00 C ATOM 42 C LYS A 11 -1.238 3.080 -12.003 1.00 0.00 C ATOM 43 O LYS A 11 -0.376 2.653 -11.234 1.00 0.00 O ATOM 44 CB LYS A 11 -3.537 2.413 -11.255 1.00 0.00 C ATOM 45 CG LYS A 11 -3.935 3.861 -11.011 1.00 0.00 C ATOM 46 CD LYS A 11 -5.278 3.958 -10.304 1.00 0.00 C ATOM 47 CE LYS A 11 -5.199 3.417 -8.886 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.575 1.977 -8.819 1.00 0.00 N ATOM 0 H LYS A 11 -1.999 0.333 -11.620 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.874 2.599 -13.292 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.423 1.844 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.165 1.985 -10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.170 4.353 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.984 4.391 -11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.604 4.998 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.028 3.401 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.186 3.546 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.859 3.995 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.934 1.756 -7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.314 1.778 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.740 1.390 -9.018 1.00 0.00 H new ATOM 62 N LYS A 12 -1.158 4.271 -12.585 1.00 0.00 N ATOM 63 CA LYS A 12 -0.029 5.164 -12.344 1.00 0.00 C ATOM 64 C LYS A 12 -0.386 6.228 -11.313 1.00 0.00 C ATOM 65 O LYS A 12 -1.455 6.837 -11.376 1.00 0.00 O ATOM 66 CB LYS A 12 0.413 5.826 -13.652 1.00 0.00 C ATOM 67 CG LYS A 12 1.593 5.135 -14.314 1.00 0.00 C ATOM 68 CD LYS A 12 2.579 6.141 -14.888 1.00 0.00 C ATOM 69 CE LYS A 12 3.765 6.350 -13.960 1.00 0.00 C ATOM 70 NZ LYS A 12 4.711 7.369 -14.490 1.00 0.00 N ATOM 0 H LYS A 12 -1.860 4.641 -13.226 1.00 0.00 H new ATOM 0 HA LYS A 12 0.796 4.569 -11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.427 5.837 -14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.676 6.865 -13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.100 4.502 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.234 4.482 -15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.932 5.793 -15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.074 7.092 -15.055 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.408 6.662 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.289 5.404 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.657 7.207 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.757 7.294 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.381 8.319 -14.226 1.00 0.00 H new ATOM 84 N VAL A 13 0.517 6.450 -10.365 1.00 0.00 N ATOM 85 CA VAL A 13 0.302 7.441 -9.317 1.00 0.00 C ATOM 86 C VAL A 13 1.584 8.214 -9.026 1.00 0.00 C ATOM 87 O VAL A 13 2.685 7.674 -9.130 1.00 0.00 O ATOM 88 CB VAL A 13 -0.200 6.781 -8.017 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.458 7.828 -6.944 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.457 5.967 -8.288 1.00 0.00 C ATOM 0 H VAL A 13 1.407 5.956 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.460 8.132 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 13 0.576 6.108 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.811 7.339 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.466 8.366 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.214 8.531 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.800 5.507 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.237 6.621 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.236 5.189 -9.019 1.00 0.00 H new ATOM 100 N PHE A 14 1.434 9.484 -8.662 1.00 0.00 N ATOM 101 CA PHE A 14 2.580 10.332 -8.359 1.00 0.00 C ATOM 102 C PHE A 14 2.333 11.154 -7.098 1.00 0.00 C ATOM 103 O PHE A 14 1.332 11.861 -6.991 1.00 0.00 O ATOM 104 CB PHE A 14 2.878 11.261 -9.537 1.00 0.00 C ATOM 105 CG PHE A 14 4.076 12.140 -9.323 1.00 0.00 C ATOM 106 CD1 PHE A 14 5.355 11.660 -9.556 1.00 0.00 C ATOM 107 CD2 PHE A 14 3.925 13.447 -8.885 1.00 0.00 C ATOM 108 CE1 PHE A 14 6.460 12.468 -9.359 1.00 0.00 C ATOM 109 CE2 PHE A 14 5.025 14.258 -8.686 1.00 0.00 C ATOM 110 CZ PHE A 14 6.294 13.768 -8.923 1.00 0.00 C ATOM 0 H PHE A 14 0.530 9.948 -8.570 1.00 0.00 H new ATOM 0 HA PHE A 14 3.441 9.687 -8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.035 10.659 -10.432 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.006 11.888 -9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.490 10.644 -9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.935 13.836 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.452 12.083 -9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.893 15.274 -8.345 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.156 14.400 -8.768 1.00 0.00 H new ATOM 120 N ILE A 15 3.256 11.057 -6.146 1.00 0.00 N ATOM 121 CA ILE A 15 3.143 11.792 -4.891 1.00 0.00 C ATOM 122 C ILE A 15 4.257 12.825 -4.767 1.00 0.00 C ATOM 123 O ILE A 15 5.434 12.475 -4.687 1.00 0.00 O ATOM 124 CB ILE A 15 3.194 10.845 -3.678 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.215 9.686 -3.867 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.881 11.606 -2.397 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.778 10.129 -4.038 1.00 0.00 C ATOM 0 H ILE A 15 4.091 10.476 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 15 2.178 12.298 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 15 4.201 10.436 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.514 9.107 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.282 9.021 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.921 10.923 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.614 12.401 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.884 12.040 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.141 9.254 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.460 10.682 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.697 10.770 -4.916 1.00 0.00 H new ATOM 139 N SER A 16 3.879 14.101 -4.756 1.00 0.00 N ATOM 140 CA SER A 16 4.851 15.183 -4.648 1.00 0.00 C ATOM 141 C SER A 16 4.816 15.823 -3.261 1.00 0.00 C ATOM 142 O SER A 16 5.795 16.437 -2.834 1.00 0.00 O ATOM 143 CB SER A 16 4.581 16.244 -5.718 1.00 0.00 C ATOM 144 OG SER A 16 3.243 16.175 -6.179 1.00 0.00 O ATOM 0 H SER A 16 2.909 14.409 -4.820 1.00 0.00 H new ATOM 0 HA SER A 16 5.843 14.759 -4.802 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.777 17.235 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.265 16.103 -6.555 1.00 0.00 H new ATOM 0 HG SER A 16 3.096 16.864 -6.860 1.00 0.00 H new ATOM 150 N LEU A 17 3.685 15.677 -2.567 1.00 0.00 N ATOM 151 CA LEU A 17 3.507 16.237 -1.223 1.00 0.00 C ATOM 152 C LEU A 17 3.008 17.682 -1.280 1.00 0.00 C ATOM 153 O LEU A 17 2.248 18.115 -0.416 1.00 0.00 O ATOM 154 CB LEU A 17 4.809 16.168 -0.415 1.00 0.00 C ATOM 155 CG LEU A 17 4.634 16.209 1.104 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.683 15.345 1.786 1.00 0.00 C ATOM 157 CD2 LEU A 17 4.708 17.641 1.609 1.00 0.00 C ATOM 0 H LEU A 17 2.871 15.171 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 17 2.752 15.630 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.334 15.250 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.448 16.999 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 17 3.650 15.809 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.543 15.387 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.582 14.314 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.677 15.714 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.582 17.652 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.678 18.068 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.918 18.232 1.145 1.00 0.00 H new ATOM 169 N VAL A 18 3.439 18.423 -2.300 1.00 0.00 N ATOM 170 CA VAL A 18 3.032 19.815 -2.461 1.00 0.00 C ATOM 171 C VAL A 18 3.652 20.699 -1.384 1.00 0.00 C ATOM 172 O VAL A 18 4.493 21.549 -1.673 1.00 0.00 O ATOM 173 CB VAL A 18 1.499 19.968 -2.416 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.090 21.375 -2.824 1.00 0.00 C ATOM 175 CG2 VAL A 18 0.833 18.933 -3.309 1.00 0.00 C ATOM 0 H VAL A 18 4.069 18.082 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 18 3.390 20.133 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 18 1.166 19.800 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.004 21.464 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.537 22.097 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.435 21.574 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.249 19.056 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.172 19.067 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.098 17.933 -2.967 1.00 0.00 H new ATOM 185 N GLY A 19 3.230 20.494 -0.140 1.00 0.00 N ATOM 186 CA GLY A 19 3.754 21.282 0.960 1.00 0.00 C ATOM 187 C GLY A 19 3.264 20.795 2.309 1.00 0.00 C ATOM 188 O GLY A 19 4.062 20.495 3.196 1.00 0.00 O ATOM 0 H GLY A 19 2.535 19.796 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.843 21.249 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.464 22.324 0.826 1.00 0.00 H new ATOM 192 N SER A 20 1.947 20.716 2.463 1.00 0.00 N ATOM 193 CA SER A 20 1.349 20.262 3.714 1.00 0.00 C ATOM 194 C SER A 20 1.288 18.738 3.765 1.00 0.00 C ATOM 195 O SER A 20 1.308 18.074 2.729 1.00 0.00 O ATOM 196 CB SER A 20 -0.054 20.848 3.877 1.00 0.00 C ATOM 197 OG SER A 20 0.000 22.179 4.360 1.00 0.00 O ATOM 0 H SER A 20 1.273 20.960 1.738 1.00 0.00 H new ATOM 0 HA SER A 20 1.976 20.610 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.573 20.827 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.631 20.231 4.566 1.00 0.00 H new ATOM 0 HG SER A 20 -0.910 22.530 4.453 1.00 0.00 H new ATOM 203 N ARG A 21 1.213 18.194 4.978 1.00 0.00 N ATOM 204 CA ARG A 21 1.147 16.746 5.182 1.00 0.00 C ATOM 205 C ARG A 21 2.141 16.008 4.283 1.00 0.00 C ATOM 206 O ARG A 21 3.047 16.617 3.713 1.00 0.00 O ATOM 207 CB ARG A 21 -0.280 16.234 4.941 1.00 0.00 C ATOM 208 CG ARG A 21 -0.693 16.192 3.477 1.00 0.00 C ATOM 209 CD ARG A 21 -1.604 17.357 3.119 1.00 0.00 C ATOM 210 NE ARG A 21 -1.908 17.394 1.689 1.00 0.00 N ATOM 211 CZ ARG A 21 -2.832 18.185 1.150 1.00 0.00 C ATOM 212 NH1 ARG A 21 -3.542 19.006 1.914 1.00 0.00 N ATOM 213 NH2 ARG A 21 -3.046 18.156 -0.159 1.00 0.00 N ATOM 0 H ARG A 21 1.196 18.738 5.841 1.00 0.00 H new ATOM 0 HA ARG A 21 1.422 16.543 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.369 15.232 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.978 16.870 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.196 16.217 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.204 15.252 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.532 17.279 3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.129 18.293 3.413 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.381 16.778 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.381 19.033 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.249 19.610 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.502 17.528 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.754 18.762 -0.574 1.00 0.00 H new ATOM 227 N GLY A 22 1.965 14.696 4.163 1.00 0.00 N ATOM 228 CA GLY A 22 2.853 13.902 3.335 1.00 0.00 C ATOM 229 C GLY A 22 2.146 13.295 2.140 1.00 0.00 C ATOM 230 O GLY A 22 2.278 13.783 1.017 1.00 0.00 O ATOM 0 H GLY A 22 1.223 14.169 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.676 14.527 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.290 13.106 3.937 1.00 0.00 H new ATOM 234 N LEU A 23 1.394 12.226 2.381 1.00 0.00 N ATOM 235 CA LEU A 23 0.663 11.548 1.318 1.00 0.00 C ATOM 236 C LEU A 23 -0.831 11.512 1.629 1.00 0.00 C ATOM 237 O LEU A 23 -1.660 11.836 0.780 1.00 0.00 O ATOM 238 CB LEU A 23 1.201 10.124 1.137 1.00 0.00 C ATOM 239 CG LEU A 23 0.274 9.157 0.396 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.034 9.628 -1.029 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.856 7.750 0.405 1.00 0.00 C ATOM 0 H LEU A 23 1.275 11.810 3.305 1.00 0.00 H new ATOM 0 HA LEU A 23 0.807 12.102 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.147 10.178 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.418 9.709 2.121 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.685 9.137 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.627 8.926 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.428 10.615 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.985 9.680 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.185 7.075 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.829 7.755 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.972 7.411 1.434 1.00 0.00 H new ATOM 253 N GLY A 24 -1.165 11.108 2.850 1.00 0.00 N ATOM 254 CA GLY A 24 -2.556 11.028 3.252 1.00 0.00 C ATOM 255 C GLY A 24 -3.117 9.628 3.110 1.00 0.00 C ATOM 256 O GLY A 24 -4.324 9.448 2.945 1.00 0.00 O ATOM 0 H GLY A 24 -0.495 10.834 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.651 11.352 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.147 11.716 2.648 1.00 0.00 H new ATOM 260 N CYS A 25 -2.237 8.634 3.166 1.00 0.00 N ATOM 261 CA CYS A 25 -2.645 7.241 3.036 1.00 0.00 C ATOM 262 C CYS A 25 -1.725 6.332 3.844 1.00 0.00 C ATOM 263 O CYS A 25 -0.594 6.704 4.165 1.00 0.00 O ATOM 264 CB CYS A 25 -2.634 6.832 1.559 1.00 0.00 C ATOM 265 SG CYS A 25 -2.932 5.073 1.257 1.00 0.00 S ATOM 0 H CYS A 25 -1.235 8.768 3.301 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.657 7.135 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.392 7.411 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.670 7.102 1.129 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.113 4.364 1.976 1.00 0.00 H new ATOM 271 N SER A 26 -2.212 5.138 4.166 1.00 0.00 N ATOM 272 CA SER A 26 -1.430 4.175 4.930 1.00 0.00 C ATOM 273 C SER A 26 -1.121 2.955 4.075 1.00 0.00 C ATOM 274 O SER A 26 -1.607 2.840 2.951 1.00 0.00 O ATOM 275 CB SER A 26 -2.190 3.754 6.190 1.00 0.00 C ATOM 276 OG SER A 26 -1.957 4.661 7.254 1.00 0.00 O ATOM 0 H SER A 26 -3.145 4.815 3.909 1.00 0.00 H new ATOM 0 HA SER A 26 -0.492 4.645 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.258 3.707 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.880 2.752 6.488 1.00 0.00 H new ATOM 0 HG SER A 26 -2.455 4.370 8.047 1.00 0.00 H new ATOM 282 N ILE A 27 -0.306 2.050 4.601 1.00 0.00 N ATOM 283 CA ILE A 27 0.060 0.847 3.866 1.00 0.00 C ATOM 284 C ILE A 27 0.049 -0.379 4.772 1.00 0.00 C ATOM 285 O ILE A 27 0.457 -0.314 5.932 1.00 0.00 O ATOM 286 CB ILE A 27 1.450 0.979 3.218 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.478 1.440 4.251 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.397 1.947 2.047 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.877 1.565 3.689 1.00 0.00 C ATOM 0 H ILE A 27 0.112 2.125 5.528 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.686 0.723 3.081 1.00 0.00 H new ATOM 0 HB ILE A 27 1.754 0.002 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.169 2.404 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.489 0.734 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.387 2.030 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.691 1.579 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.075 2.927 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.556 1.896 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.205 0.597 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.879 2.292 2.877 1.00 0.00 H new ATOM 301 N SER A 28 -0.421 -1.497 4.230 1.00 0.00 N ATOM 302 CA SER A 28 -0.489 -2.744 4.980 1.00 0.00 C ATOM 303 C SER A 28 0.365 -3.816 4.315 1.00 0.00 C ATOM 304 O SER A 28 0.718 -3.704 3.142 1.00 0.00 O ATOM 305 CB SER A 28 -1.939 -3.222 5.086 1.00 0.00 C ATOM 306 OG SER A 28 -2.673 -2.889 3.921 1.00 0.00 O ATOM 0 H SER A 28 -0.761 -1.564 3.271 1.00 0.00 H new ATOM 0 HA SER A 28 -0.102 -2.562 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.959 -4.301 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.411 -2.770 5.958 1.00 0.00 H new ATOM 0 HG SER A 28 -3.595 -3.207 4.013 1.00 0.00 H new ATOM 312 N SER A 29 0.694 -4.858 5.070 1.00 0.00 N ATOM 313 CA SER A 29 1.506 -5.950 4.548 1.00 0.00 C ATOM 314 C SER A 29 0.646 -7.180 4.277 1.00 0.00 C ATOM 315 O SER A 29 -0.344 -7.420 4.968 1.00 0.00 O ATOM 316 CB SER A 29 2.626 -6.296 5.532 1.00 0.00 C ATOM 317 OG SER A 29 3.852 -5.704 5.139 1.00 0.00 O ATOM 0 H SER A 29 0.411 -4.969 6.044 1.00 0.00 H new ATOM 0 HA SER A 29 1.951 -5.626 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.356 -5.952 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.743 -7.378 5.589 1.00 0.00 H new ATOM 0 HG SER A 29 3.839 -4.749 5.357 1.00 0.00 H new ATOM 323 N GLY A 30 1.025 -7.950 3.265 1.00 0.00 N ATOM 324 CA GLY A 30 0.272 -9.140 2.919 1.00 0.00 C ATOM 325 C GLY A 30 0.740 -10.369 3.675 1.00 0.00 C ATOM 326 O GLY A 30 1.720 -10.309 4.417 1.00 0.00 O ATOM 0 H GLY A 30 1.840 -7.772 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.784 -8.970 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.360 -9.322 1.848 1.00 0.00 H new ATOM 330 N PRO A 31 0.051 -11.510 3.504 1.00 0.00 N ATOM 331 CA PRO A 31 0.408 -12.759 4.183 1.00 0.00 C ATOM 332 C PRO A 31 1.716 -13.345 3.664 1.00 0.00 C ATOM 333 O PRO A 31 2.482 -12.669 2.976 1.00 0.00 O ATOM 334 CB PRO A 31 -0.763 -13.690 3.858 1.00 0.00 C ATOM 335 CG PRO A 31 -1.327 -13.159 2.587 1.00 0.00 C ATOM 336 CD PRO A 31 -1.132 -11.670 2.637 1.00 0.00 C ATOM 0 HA PRO A 31 0.566 -12.611 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.429 -14.721 3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.507 -13.683 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.819 -13.590 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.383 -13.411 2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.962 -11.253 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.005 -11.164 3.050 1.00 0.00 H new ATOM 344 N ILE A 32 1.967 -14.605 3.999 1.00 0.00 N ATOM 345 CA ILE A 32 3.182 -15.284 3.566 1.00 0.00 C ATOM 346 C ILE A 32 3.071 -15.745 2.117 1.00 0.00 C ATOM 347 O ILE A 32 4.071 -15.842 1.408 1.00 0.00 O ATOM 348 CB ILE A 32 3.493 -16.503 4.458 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.405 -16.117 5.936 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.872 -17.060 4.133 1.00 0.00 C ATOM 351 CD1 ILE A 32 4.392 -15.046 6.342 1.00 0.00 C ATOM 0 H ILE A 32 1.345 -15.177 4.570 1.00 0.00 H new ATOM 0 HA ILE A 32 3.994 -14.562 3.652 1.00 0.00 H new ATOM 0 HB ILE A 32 2.753 -17.278 4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.395 -15.769 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.574 -17.005 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.077 -17.920 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.903 -17.368 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.625 -16.292 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.272 -14.824 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.407 -15.398 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.210 -14.143 5.759 1.00 0.00 H new ATOM 363 N GLN A 33 1.846 -16.027 1.684 1.00 0.00 N ATOM 364 CA GLN A 33 1.605 -16.477 0.319 1.00 0.00 C ATOM 365 C GLN A 33 1.631 -15.304 -0.656 1.00 0.00 C ATOM 366 O GLN A 33 1.971 -15.465 -1.828 1.00 0.00 O ATOM 367 CB GLN A 33 0.260 -17.200 0.229 1.00 0.00 C ATOM 368 CG GLN A 33 0.171 -18.430 1.119 1.00 0.00 C ATOM 369 CD GLN A 33 -1.086 -18.445 1.969 1.00 0.00 C ATOM 370 OE1 GLN A 33 -2.027 -19.188 1.691 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.104 -17.623 3.011 1.00 0.00 N ATOM 0 H GLN A 33 1.006 -15.952 2.258 1.00 0.00 H new ATOM 0 HA GLN A 33 2.402 -17.169 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.535 -16.506 0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.084 -17.496 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.196 -19.326 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.045 -18.468 1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.300 -17.025 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.922 -17.589 3.620 1.00 0.00 H new ATOM 380 N LYS A 34 1.266 -14.123 -0.165 1.00 0.00 N ATOM 381 CA LYS A 34 1.248 -12.925 -0.996 1.00 0.00 C ATOM 382 C LYS A 34 1.800 -11.721 -0.233 1.00 0.00 C ATOM 383 O LYS A 34 1.105 -10.722 -0.042 1.00 0.00 O ATOM 384 CB LYS A 34 -0.177 -12.633 -1.473 1.00 0.00 C ATOM 385 CG LYS A 34 -0.235 -11.968 -2.839 1.00 0.00 C ATOM 386 CD LYS A 34 -1.187 -10.784 -2.844 1.00 0.00 C ATOM 387 CE LYS A 34 -1.286 -10.156 -4.226 1.00 0.00 C ATOM 388 NZ LYS A 34 -0.173 -9.198 -4.483 1.00 0.00 N ATOM 0 H LYS A 34 0.979 -13.971 0.802 1.00 0.00 H new ATOM 0 HA LYS A 34 1.885 -13.104 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.738 -13.567 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.671 -11.991 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.763 -11.635 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.554 -12.695 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.175 -11.109 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.845 -10.037 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.272 -10.940 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.240 -9.638 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.563 -8.246 -4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.468 -9.183 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.353 -9.496 -5.329 1.00 0.00 H new ATOM 402 N PRO A 35 3.065 -11.800 0.213 1.00 0.00 N ATOM 403 CA PRO A 35 3.709 -10.714 0.956 1.00 0.00 C ATOM 404 C PRO A 35 4.091 -9.545 0.056 1.00 0.00 C ATOM 405 O PRO A 35 4.617 -9.738 -1.041 1.00 0.00 O ATOM 406 CB PRO A 35 4.961 -11.378 1.530 1.00 0.00 C ATOM 407 CG PRO A 35 5.285 -12.463 0.563 1.00 0.00 C ATOM 408 CD PRO A 35 3.966 -12.954 0.028 1.00 0.00 C ATOM 0 HA PRO A 35 3.050 -10.287 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.782 -10.667 1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.777 -11.777 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.918 -12.091 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.832 -13.270 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.040 -13.240 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.613 -13.830 0.573 1.00 0.00 H new ATOM 416 N GLY A 36 3.827 -8.329 0.526 1.00 0.00 N ATOM 417 CA GLY A 36 4.150 -7.147 -0.252 1.00 0.00 C ATOM 418 C GLY A 36 3.629 -5.874 0.384 1.00 0.00 C ATOM 419 O GLY A 36 3.138 -5.891 1.511 1.00 0.00 O ATOM 0 H GLY A 36 3.395 -8.142 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.232 -7.076 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.729 -7.248 -1.252 1.00 0.00 H new ATOM 423 N ILE A 37 3.737 -4.765 -0.342 1.00 0.00 N ATOM 424 CA ILE A 37 3.272 -3.478 0.157 1.00 0.00 C ATOM 425 C ILE A 37 1.885 -3.148 -0.384 1.00 0.00 C ATOM 426 O ILE A 37 1.704 -2.970 -1.589 1.00 0.00 O ATOM 427 CB ILE A 37 4.241 -2.342 -0.220 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.687 -2.764 0.044 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.902 -1.077 0.556 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.951 -3.141 1.486 1.00 0.00 C ATOM 0 H ILE A 37 4.143 -4.733 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 37 3.227 -3.559 1.243 1.00 0.00 H new ATOM 0 HB ILE A 37 4.134 -2.132 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.933 -3.612 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.353 -1.948 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.596 -0.283 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.884 -0.768 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.984 -1.273 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.996 -3.430 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.737 -2.288 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.311 -3.977 1.767 1.00 0.00 H new ATOM 442 N PHE A 38 0.909 -3.074 0.514 1.00 0.00 N ATOM 443 CA PHE A 38 -0.464 -2.771 0.129 1.00 0.00 C ATOM 444 C PHE A 38 -0.883 -1.393 0.625 1.00 0.00 C ATOM 445 O PHE A 38 -0.127 -0.713 1.321 1.00 0.00 O ATOM 446 CB PHE A 38 -1.411 -3.839 0.675 1.00 0.00 C ATOM 447 CG PHE A 38 -1.023 -5.234 0.278 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.129 -5.816 0.781 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.806 -5.960 -0.603 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.492 -7.097 0.414 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.449 -7.241 -0.976 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.299 -7.811 -0.465 1.00 0.00 C ATOM 0 H PHE A 38 1.044 -3.220 1.515 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.518 -2.769 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.436 -3.772 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.421 -3.635 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.751 -5.261 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.707 -5.519 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.393 -7.540 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.068 -7.796 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.019 -8.814 -0.752 1.00 0.00 H new ATOM 462 N ILE A 39 -2.091 -0.984 0.254 1.00 0.00 N ATOM 463 CA ILE A 39 -2.613 0.316 0.650 1.00 0.00 C ATOM 464 C ILE A 39 -3.709 0.178 1.704 1.00 0.00 C ATOM 465 O ILE A 39 -4.584 -0.681 1.604 1.00 0.00 O ATOM 466 CB ILE A 39 -3.164 1.086 -0.571 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.013 1.535 -1.474 1.00 0.00 C ATOM 468 CG2 ILE A 39 -3.995 2.284 -0.131 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.153 2.620 -0.862 1.00 0.00 C ATOM 0 H ILE A 39 -2.727 -1.536 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.784 0.878 1.081 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.813 0.416 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.387 0.674 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.422 1.896 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.371 2.808 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.835 1.942 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.375 2.960 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.357 2.889 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.766 3.497 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.715 2.256 0.068 1.00 0.00 H new ATOM 481 N SER A 40 -3.649 1.044 2.709 1.00 0.00 N ATOM 482 CA SER A 40 -4.625 1.049 3.788 1.00 0.00 C ATOM 483 C SER A 40 -5.572 2.233 3.643 1.00 0.00 C ATOM 484 O SER A 40 -5.582 2.912 2.616 1.00 0.00 O ATOM 485 CB SER A 40 -3.917 1.100 5.146 1.00 0.00 C ATOM 486 OG SER A 40 -4.185 -0.065 5.906 1.00 0.00 O ATOM 0 H SER A 40 -2.926 1.758 2.797 1.00 0.00 H new ATOM 0 HA SER A 40 -5.207 0.129 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.842 1.200 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.245 1.981 5.698 1.00 0.00 H new ATOM 0 HG SER A 40 -4.761 0.165 6.665 1.00 0.00 H new ATOM 492 N HIS A 41 -6.370 2.478 4.677 1.00 0.00 N ATOM 493 CA HIS A 41 -7.325 3.583 4.667 1.00 0.00 C ATOM 494 C HIS A 41 -6.659 4.883 4.222 1.00 0.00 C ATOM 495 O HIS A 41 -5.513 5.159 4.579 1.00 0.00 O ATOM 496 CB HIS A 41 -7.941 3.763 6.055 1.00 0.00 C ATOM 497 CG HIS A 41 -6.939 4.095 7.115 1.00 0.00 C ATOM 498 ND1 HIS A 41 -6.476 3.171 8.030 1.00 0.00 N ATOM 499 CD2 HIS A 41 -6.306 5.257 7.405 1.00 0.00 C ATOM 500 CE1 HIS A 41 -5.604 3.753 8.836 1.00 0.00 C ATOM 501 NE2 HIS A 41 -5.483 5.017 8.477 1.00 0.00 N ATOM 0 H HIS A 41 -6.375 1.926 5.535 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.112 3.340 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.688 4.555 6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -8.463 2.847 6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.427 6.198 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.080 3.275 9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.876 5.704 8.924 1.00 0.00 H new ATOM 510 N VAL A 42 -7.386 5.677 3.442 1.00 0.00 N ATOM 511 CA VAL A 42 -6.869 6.948 2.948 1.00 0.00 C ATOM 512 C VAL A 42 -7.597 8.121 3.595 1.00 0.00 C ATOM 513 O VAL A 42 -8.744 7.991 4.023 1.00 0.00 O ATOM 514 CB VAL A 42 -7.007 7.055 1.417 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.203 8.235 0.890 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.569 5.761 0.747 1.00 0.00 C ATOM 0 H VAL A 42 -8.336 5.462 3.138 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.812 6.986 3.212 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.057 7.223 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.312 8.295 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.569 9.156 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.151 8.100 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.674 5.857 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.527 5.558 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.192 4.939 1.100 1.00 0.00 H new ATOM 526 N LYS A 43 -6.926 9.266 3.666 1.00 0.00 N ATOM 527 CA LYS A 43 -7.515 10.459 4.264 1.00 0.00 C ATOM 528 C LYS A 43 -7.817 11.512 3.200 1.00 0.00 C ATOM 529 O LYS A 43 -7.090 11.637 2.214 1.00 0.00 O ATOM 530 CB LYS A 43 -6.574 11.042 5.321 1.00 0.00 C ATOM 531 CG LYS A 43 -6.180 10.045 6.399 1.00 0.00 C ATOM 532 CD LYS A 43 -4.940 10.502 7.151 1.00 0.00 C ATOM 533 CE LYS A 43 -4.674 9.633 8.371 1.00 0.00 C ATOM 534 NZ LYS A 43 -4.952 10.359 9.641 1.00 0.00 N ATOM 0 H LYS A 43 -5.976 9.393 3.318 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.453 10.171 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.673 11.410 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.055 11.901 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.006 9.918 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.994 9.071 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.077 10.470 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.064 11.539 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.294 8.738 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.635 9.302 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.759 9.733 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.342 11.200 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.949 10.653 9.662 1.00 0.00 H new ATOM 548 N PRO A 44 -8.900 12.289 3.388 1.00 0.00 N ATOM 549 CA PRO A 44 -9.293 13.336 2.440 1.00 0.00 C ATOM 550 C PRO A 44 -8.343 14.529 2.469 1.00 0.00 C ATOM 551 O PRO A 44 -7.592 14.712 3.427 1.00 0.00 O ATOM 552 CB PRO A 44 -10.684 13.749 2.925 1.00 0.00 C ATOM 553 CG PRO A 44 -10.687 13.428 4.380 1.00 0.00 C ATOM 554 CD PRO A 44 -9.820 12.210 4.538 1.00 0.00 C ATOM 0 HA PRO A 44 -9.274 12.982 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.865 14.810 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.466 13.203 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.298 14.262 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.699 13.235 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.280 12.222 5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.409 11.293 4.518 1.00 0.00 H new ATOM 562 N GLY A 45 -8.378 15.336 1.414 1.00 0.00 N ATOM 563 CA GLY A 45 -7.511 16.498 1.341 1.00 0.00 C ATOM 564 C GLY A 45 -6.046 16.135 1.477 1.00 0.00 C ATOM 565 O GLY A 45 -5.357 16.627 2.371 1.00 0.00 O ATOM 0 H GLY A 45 -8.991 15.207 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.670 17.007 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.783 17.201 2.128 1.00 0.00 H new ATOM 569 N SER A 46 -5.571 15.265 0.592 1.00 0.00 N ATOM 570 CA SER A 46 -4.180 14.829 0.618 1.00 0.00 C ATOM 571 C SER A 46 -3.710 14.421 -0.773 1.00 0.00 C ATOM 572 O SER A 46 -4.430 14.588 -1.756 1.00 0.00 O ATOM 573 CB SER A 46 -4.017 13.659 1.587 1.00 0.00 C ATOM 574 OG SER A 46 -5.038 13.665 2.570 1.00 0.00 O ATOM 0 H SER A 46 -6.129 14.848 -0.153 1.00 0.00 H new ATOM 0 HA SER A 46 -3.567 15.665 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.044 12.719 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.042 13.716 2.071 1.00 0.00 H new ATOM 0 HG SER A 46 -5.676 12.945 2.383 1.00 0.00 H new ATOM 580 N LEU A 47 -2.499 13.878 -0.846 1.00 0.00 N ATOM 581 CA LEU A 47 -1.934 13.442 -2.117 1.00 0.00 C ATOM 582 C LEU A 47 -2.613 12.165 -2.595 1.00 0.00 C ATOM 583 O LEU A 47 -3.030 12.065 -3.751 1.00 0.00 O ATOM 584 CB LEU A 47 -0.429 13.209 -1.981 1.00 0.00 C ATOM 585 CG LEU A 47 0.405 14.470 -1.747 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.117 15.510 -2.820 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.131 15.038 -0.361 1.00 0.00 C ATOM 0 H LEU A 47 -1.891 13.730 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.106 14.228 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.257 12.520 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.070 12.718 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 47 1.460 14.202 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.720 16.399 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.364 15.100 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.940 15.776 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.732 15.935 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.926 15.290 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.390 14.296 0.394 1.00 0.00 H new ATOM 599 N SER A 48 -2.724 11.190 -1.699 1.00 0.00 N ATOM 600 CA SER A 48 -3.356 9.915 -2.026 1.00 0.00 C ATOM 601 C SER A 48 -4.765 10.127 -2.572 1.00 0.00 C ATOM 602 O SER A 48 -5.173 9.480 -3.536 1.00 0.00 O ATOM 603 CB SER A 48 -3.408 9.016 -0.792 1.00 0.00 C ATOM 604 OG SER A 48 -3.456 9.785 0.398 1.00 0.00 O ATOM 0 H SER A 48 -2.384 11.258 -0.740 1.00 0.00 H new ATOM 0 HA SER A 48 -2.756 9.431 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.284 8.369 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.533 8.367 -0.774 1.00 0.00 H new ATOM 0 HG SER A 48 -4.326 10.230 0.465 1.00 0.00 H new ATOM 610 N ALA A 49 -5.503 11.039 -1.948 1.00 0.00 N ATOM 611 CA ALA A 49 -6.865 11.339 -2.371 1.00 0.00 C ATOM 612 C ALA A 49 -6.876 12.022 -3.733 1.00 0.00 C ATOM 613 O ALA A 49 -7.738 11.752 -4.569 1.00 0.00 O ATOM 614 CB ALA A 49 -7.559 12.210 -1.337 1.00 0.00 C ATOM 0 H ALA A 49 -5.180 11.583 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.408 10.398 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.575 12.426 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.591 11.686 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.009 13.144 -1.220 1.00 0.00 H new ATOM 620 N GLU A 50 -5.910 12.909 -3.949 1.00 0.00 N ATOM 621 CA GLU A 50 -5.805 13.634 -5.209 1.00 0.00 C ATOM 622 C GLU A 50 -5.461 12.685 -6.353 1.00 0.00 C ATOM 623 O GLU A 50 -6.011 12.793 -7.449 1.00 0.00 O ATOM 624 CB GLU A 50 -4.745 14.730 -5.103 1.00 0.00 C ATOM 625 CG GLU A 50 -5.297 16.068 -4.635 1.00 0.00 C ATOM 626 CD GLU A 50 -6.411 16.582 -5.527 1.00 0.00 C ATOM 627 OE1 GLU A 50 -6.104 17.290 -6.511 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.587 16.278 -5.243 1.00 0.00 O ATOM 0 H GLU A 50 -5.189 13.143 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.771 14.093 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.967 14.406 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.272 14.862 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.670 15.967 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.490 16.801 -4.608 1.00 0.00 H new ATOM 635 N VAL A 51 -4.547 11.757 -6.090 1.00 0.00 N ATOM 636 CA VAL A 51 -4.128 10.790 -7.098 1.00 0.00 C ATOM 637 C VAL A 51 -5.202 9.729 -7.320 1.00 0.00 C ATOM 638 O VAL A 51 -5.333 9.185 -8.416 1.00 0.00 O ATOM 639 CB VAL A 51 -2.810 10.097 -6.702 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.680 11.110 -6.603 1.00 0.00 C ATOM 641 CG2 VAL A 51 -2.974 9.341 -5.391 1.00 0.00 C ATOM 0 H VAL A 51 -4.082 11.654 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.972 11.345 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.554 9.377 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.758 10.601 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.545 11.600 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.926 11.857 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.032 8.859 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.257 10.038 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.751 8.584 -5.502 1.00 0.00 H new ATOM 651 N GLY A 52 -5.966 9.441 -6.272 1.00 0.00 N ATOM 652 CA GLY A 52 -7.017 8.445 -6.373 1.00 0.00 C ATOM 653 C GLY A 52 -6.617 7.119 -5.757 1.00 0.00 C ATOM 654 O GLY A 52 -6.552 6.102 -6.446 1.00 0.00 O ATOM 0 H GLY A 52 -5.877 9.879 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.915 8.816 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.271 8.293 -7.422 1.00 0.00 H new ATOM 658 N LEU A 53 -6.346 7.132 -4.455 1.00 0.00 N ATOM 659 CA LEU A 53 -5.948 5.923 -3.745 1.00 0.00 C ATOM 660 C LEU A 53 -7.052 5.453 -2.802 1.00 0.00 C ATOM 661 O LEU A 53 -7.965 6.211 -2.475 1.00 0.00 O ATOM 662 CB LEU A 53 -4.659 6.170 -2.956 1.00 0.00 C ATOM 663 CG LEU A 53 -3.371 6.067 -3.773 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.213 6.716 -3.030 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.057 4.611 -4.086 1.00 0.00 C ATOM 0 H LEU A 53 -6.395 7.967 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.771 5.142 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.709 7.163 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.610 5.453 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.515 6.599 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.305 6.633 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.437 7.768 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.066 6.213 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.137 4.554 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.932 4.058 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.876 4.177 -4.659 1.00 0.00 H new ATOM 677 N GLU A 54 -6.960 4.200 -2.372 1.00 0.00 N ATOM 678 CA GLU A 54 -7.950 3.625 -1.467 1.00 0.00 C ATOM 679 C GLU A 54 -7.526 2.228 -1.024 1.00 0.00 C ATOM 680 O GLU A 54 -6.672 1.602 -1.650 1.00 0.00 O ATOM 681 CB GLU A 54 -9.320 3.565 -2.146 1.00 0.00 C ATOM 682 CG GLU A 54 -10.266 4.673 -1.710 1.00 0.00 C ATOM 683 CD GLU A 54 -11.314 4.192 -0.726 1.00 0.00 C ATOM 684 OE1 GLU A 54 -12.394 3.756 -1.176 1.00 0.00 O ATOM 685 OE2 GLU A 54 -11.054 4.250 0.494 1.00 0.00 O ATOM 0 H GLU A 54 -6.209 3.562 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.019 4.264 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.183 3.620 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.780 2.601 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.690 5.480 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.761 5.089 -2.587 1.00 0.00 H new ATOM 692 N ILE A 55 -8.128 1.742 0.060 1.00 0.00 N ATOM 693 CA ILE A 55 -7.808 0.417 0.582 1.00 0.00 C ATOM 694 C ILE A 55 -7.975 -0.648 -0.497 1.00 0.00 C ATOM 695 O ILE A 55 -8.852 -0.544 -1.356 1.00 0.00 O ATOM 696 CB ILE A 55 -8.695 0.057 1.791 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.599 1.143 2.864 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.295 -1.297 2.364 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.915 1.431 3.553 1.00 0.00 C ATOM 0 H ILE A 55 -8.838 2.245 0.592 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.767 0.445 0.906 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.730 -0.006 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.866 0.840 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.229 2.061 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.932 -1.534 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.412 -2.065 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.255 -1.262 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.771 2.211 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.646 1.765 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.277 0.525 4.039 1.00 0.00 H new ATOM 711 N GLY A 56 -7.126 -1.668 -0.451 1.00 0.00 N ATOM 712 CA GLY A 56 -7.193 -2.732 -1.432 1.00 0.00 C ATOM 713 C GLY A 56 -6.103 -2.619 -2.478 1.00 0.00 C ATOM 714 O GLY A 56 -5.640 -3.624 -3.012 1.00 0.00 O ATOM 0 H GLY A 56 -6.392 -1.776 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.111 -3.694 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.167 -2.711 -1.921 1.00 0.00 H new ATOM 718 N ASP A 57 -5.689 -1.392 -2.770 1.00 0.00 N ATOM 719 CA ASP A 57 -4.643 -1.157 -3.756 1.00 0.00 C ATOM 720 C ASP A 57 -3.335 -1.804 -3.315 1.00 0.00 C ATOM 721 O ASP A 57 -3.168 -2.148 -2.144 1.00 0.00 O ATOM 722 CB ASP A 57 -4.441 0.345 -3.964 1.00 0.00 C ATOM 723 CG ASP A 57 -5.580 0.983 -4.737 1.00 0.00 C ATOM 724 OD1 ASP A 57 -6.656 0.352 -4.837 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.398 2.111 -5.241 1.00 0.00 O ATOM 0 H ASP A 57 -6.061 -0.546 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.952 -1.607 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.346 0.833 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.505 0.512 -4.498 1.00 0.00 H new ATOM 730 N GLN A 58 -2.410 -1.973 -4.255 1.00 0.00 N ATOM 731 CA GLN A 58 -1.121 -2.586 -3.952 1.00 0.00 C ATOM 732 C GLN A 58 -0.004 -1.955 -4.778 1.00 0.00 C ATOM 733 O GLN A 58 0.030 -2.092 -6.001 1.00 0.00 O ATOM 734 CB GLN A 58 -1.177 -4.091 -4.218 1.00 0.00 C ATOM 735 CG GLN A 58 -0.247 -4.902 -3.328 1.00 0.00 C ATOM 736 CD GLN A 58 0.917 -5.500 -4.093 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.781 -5.876 -5.259 1.00 0.00 O ATOM 738 NE2 GLN A 58 2.070 -5.593 -3.441 1.00 0.00 N ATOM 0 H GLN A 58 -2.528 -1.695 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.906 -2.414 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.200 -4.439 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.921 -4.277 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.136 -4.264 -2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.813 -5.702 -2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.138 -5.269 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.888 -5.988 -3.905 1.00 0.00 H new ATOM 747 N ILE A 59 0.911 -1.267 -4.102 1.00 0.00 N ATOM 748 CA ILE A 59 2.031 -0.621 -4.775 1.00 0.00 C ATOM 749 C ILE A 59 3.003 -1.659 -5.325 1.00 0.00 C ATOM 750 O ILE A 59 3.596 -2.431 -4.571 1.00 0.00 O ATOM 751 CB ILE A 59 2.789 0.327 -3.823 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.810 1.259 -3.103 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.829 1.133 -4.589 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.075 1.385 -1.620 1.00 0.00 C ATOM 0 H ILE A 59 0.898 -1.143 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 59 1.618 -0.037 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 59 3.304 -0.275 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.861 2.248 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.795 0.892 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.354 1.796 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.543 0.455 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.335 1.726 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.344 2.060 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.995 0.404 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.078 1.782 -1.462 1.00 0.00 H new ATOM 766 N VAL A 60 3.154 -1.679 -6.646 1.00 0.00 N ATOM 767 CA VAL A 60 4.044 -2.631 -7.298 1.00 0.00 C ATOM 768 C VAL A 60 5.439 -2.046 -7.507 1.00 0.00 C ATOM 769 O VAL A 60 6.421 -2.783 -7.597 1.00 0.00 O ATOM 770 CB VAL A 60 3.478 -3.084 -8.659 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.152 -3.806 -8.471 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.316 -1.897 -9.597 1.00 0.00 C ATOM 0 H VAL A 60 2.671 -1.047 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 60 4.119 -3.492 -6.634 1.00 0.00 H new ATOM 0 HB VAL A 60 4.186 -3.779 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.767 -4.119 -9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.301 -4.682 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.436 -3.135 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.915 -2.239 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.631 -1.174 -9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.286 -1.426 -9.759 1.00 0.00 H new ATOM 782 N GLU A 61 5.525 -0.721 -7.584 1.00 0.00 N ATOM 783 CA GLU A 61 6.806 -0.054 -7.785 1.00 0.00 C ATOM 784 C GLU A 61 6.795 1.356 -7.198 1.00 0.00 C ATOM 785 O GLU A 61 5.736 1.953 -7.010 1.00 0.00 O ATOM 786 CB GLU A 61 7.144 0.006 -9.275 1.00 0.00 C ATOM 787 CG GLU A 61 8.637 0.068 -9.558 1.00 0.00 C ATOM 788 CD GLU A 61 8.965 -0.197 -11.015 1.00 0.00 C ATOM 789 OE1 GLU A 61 8.704 0.692 -11.853 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.484 -1.292 -11.317 1.00 0.00 O ATOM 0 H GLU A 61 4.726 -0.091 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 61 7.569 -0.634 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.725 -0.870 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.663 0.880 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.016 1.051 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.152 -0.663 -8.935 1.00 0.00 H new ATOM 797 N VAL A 62 7.984 1.878 -6.915 1.00 0.00 N ATOM 798 CA VAL A 62 8.121 3.217 -6.354 1.00 0.00 C ATOM 799 C VAL A 62 9.436 3.858 -6.787 1.00 0.00 C ATOM 800 O VAL A 62 10.502 3.524 -6.268 1.00 0.00 O ATOM 801 CB VAL A 62 8.056 3.191 -4.813 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.159 4.602 -4.243 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.777 2.512 -4.346 1.00 0.00 C ATOM 0 H VAL A 62 8.868 1.393 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 62 7.288 3.808 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 62 8.905 2.615 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.111 4.559 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.105 5.049 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.334 5.207 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.747 2.502 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.915 3.059 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.752 1.488 -4.719 1.00 0.00 H new ATOM 813 N ASN A 63 9.354 4.778 -7.742 1.00 0.00 N ATOM 814 CA ASN A 63 10.538 5.467 -8.247 1.00 0.00 C ATOM 815 C ASN A 63 11.490 4.486 -8.925 1.00 0.00 C ATOM 816 O ASN A 63 12.704 4.686 -8.924 1.00 0.00 O ATOM 817 CB ASN A 63 11.258 6.191 -7.108 1.00 0.00 C ATOM 818 CG ASN A 63 11.956 7.454 -7.575 1.00 0.00 C ATOM 819 OD1 ASN A 63 13.136 7.429 -7.927 1.00 0.00 O ATOM 820 ND2 ASN A 63 11.230 8.565 -7.580 1.00 0.00 N ATOM 0 H ASN A 63 8.480 5.065 -8.183 1.00 0.00 H new ATOM 0 HA ASN A 63 10.214 6.200 -8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.538 6.444 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.990 5.519 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.647 9.445 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.256 8.539 -7.280 1.00 0.00 H new ATOM 827 N GLY A 64 10.929 3.429 -9.502 1.00 0.00 N ATOM 828 CA GLY A 64 11.743 2.435 -10.176 1.00 0.00 C ATOM 829 C GLY A 64 12.065 1.246 -9.290 1.00 0.00 C ATOM 830 O GLY A 64 12.296 0.141 -9.782 1.00 0.00 O ATOM 0 H GLY A 64 9.926 3.243 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.222 2.088 -11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.672 2.897 -10.509 1.00 0.00 H new ATOM 834 N VAL A 65 12.083 1.473 -7.981 1.00 0.00 N ATOM 835 CA VAL A 65 12.380 0.412 -7.026 1.00 0.00 C ATOM 836 C VAL A 65 11.251 -0.613 -6.974 1.00 0.00 C ATOM 837 O VAL A 65 10.080 -0.254 -6.844 1.00 0.00 O ATOM 838 CB VAL A 65 12.612 0.976 -5.611 1.00 0.00 C ATOM 839 CG1 VAL A 65 13.084 -0.120 -4.668 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.611 2.125 -5.647 1.00 0.00 C ATOM 0 H VAL A 65 11.896 2.382 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 65 13.294 -0.074 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 65 11.664 1.362 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 13.242 0.298 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.329 -0.905 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.019 -0.540 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.761 2.509 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.561 1.769 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.227 2.921 -6.285 1.00 0.00 H new ATOM 850 N ASP A 66 11.611 -1.888 -7.076 1.00 0.00 N ATOM 851 CA ASP A 66 10.629 -2.965 -7.039 1.00 0.00 C ATOM 852 C ASP A 66 10.010 -3.089 -5.650 1.00 0.00 C ATOM 853 O ASP A 66 10.718 -3.233 -4.654 1.00 0.00 O ATOM 854 CB ASP A 66 11.278 -4.290 -7.442 1.00 0.00 C ATOM 855 CG ASP A 66 11.100 -4.597 -8.916 1.00 0.00 C ATOM 856 OD1 ASP A 66 9.966 -4.937 -9.317 1.00 0.00 O ATOM 857 OD2 ASP A 66 12.091 -4.498 -9.668 1.00 0.00 O ATOM 0 H ASP A 66 12.576 -2.201 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 66 9.838 -2.726 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.342 -4.257 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.846 -5.097 -6.851 1.00 0.00 H new ATOM 862 N PHE A 67 8.683 -3.032 -5.593 1.00 0.00 N ATOM 863 CA PHE A 67 7.967 -3.136 -4.327 1.00 0.00 C ATOM 864 C PHE A 67 7.427 -4.549 -4.110 1.00 0.00 C ATOM 865 O PHE A 67 7.085 -4.927 -2.990 1.00 0.00 O ATOM 866 CB PHE A 67 6.818 -2.125 -4.286 1.00 0.00 C ATOM 867 CG PHE A 67 7.072 -0.964 -3.365 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.313 -0.348 -3.332 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.069 -0.490 -2.536 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.549 0.719 -2.486 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.300 0.578 -1.688 1.00 0.00 C ATOM 872 CZ PHE A 67 7.541 1.182 -1.662 1.00 0.00 C ATOM 0 H PHE A 67 8.082 -2.914 -6.409 1.00 0.00 H new ATOM 0 HA PHE A 67 8.670 -2.915 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.641 -1.747 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.907 -2.635 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.104 -0.706 -3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.096 -0.959 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.520 1.191 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.510 0.939 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.724 2.015 -0.999 1.00 0.00 H new ATOM 882 N SER A 68 7.352 -5.330 -5.188 1.00 0.00 N ATOM 883 CA SER A 68 6.852 -6.698 -5.110 1.00 0.00 C ATOM 884 C SER A 68 7.608 -7.500 -4.053 1.00 0.00 C ATOM 885 O SER A 68 7.001 -8.140 -3.194 1.00 0.00 O ATOM 886 CB SER A 68 6.972 -7.386 -6.470 1.00 0.00 C ATOM 887 OG SER A 68 5.902 -8.290 -6.682 1.00 0.00 O ATOM 0 H SER A 68 7.632 -5.037 -6.124 1.00 0.00 H new ATOM 0 HA SER A 68 5.801 -6.655 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.980 -6.636 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.920 -7.920 -6.528 1.00 0.00 H new ATOM 0 HG SER A 68 6.002 -8.715 -7.559 1.00 0.00 H new ATOM 893 N ASN A 69 8.935 -7.461 -4.123 1.00 0.00 N ATOM 894 CA ASN A 69 9.770 -8.184 -3.172 1.00 0.00 C ATOM 895 C ASN A 69 10.417 -7.226 -2.176 1.00 0.00 C ATOM 896 O ASN A 69 11.518 -7.474 -1.687 1.00 0.00 O ATOM 897 CB ASN A 69 10.851 -8.978 -3.907 1.00 0.00 C ATOM 898 CG ASN A 69 11.108 -10.330 -3.272 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.245 -10.882 -2.588 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.299 -10.873 -3.496 1.00 0.00 N ATOM 0 H ASN A 69 9.454 -6.937 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 69 9.132 -8.876 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.552 -9.119 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.777 -8.403 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.528 -11.782 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.984 -10.381 -4.069 1.00 0.00 H new ATOM 907 N LEU A 70 9.724 -6.131 -1.881 1.00 0.00 N ATOM 908 CA LEU A 70 10.231 -5.134 -0.944 1.00 0.00 C ATOM 909 C LEU A 70 9.619 -5.331 0.439 1.00 0.00 C ATOM 910 O LEU A 70 8.468 -5.745 0.568 1.00 0.00 O ATOM 911 CB LEU A 70 9.927 -3.725 -1.453 1.00 0.00 C ATOM 912 CG LEU A 70 10.568 -2.594 -0.643 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.700 -1.946 -1.427 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.524 -1.555 -0.254 1.00 0.00 C ATOM 0 H LEU A 70 8.810 -5.911 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 70 11.311 -5.259 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.263 -3.648 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.846 -3.581 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 70 10.984 -3.021 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.142 -1.145 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.461 -2.693 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.309 -1.535 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.999 -0.760 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.076 -1.134 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.749 -2.026 0.350 1.00 0.00 H new ATOM 926 N ASP A 71 10.400 -5.030 1.473 1.00 0.00 N ATOM 927 CA ASP A 71 9.935 -5.173 2.848 1.00 0.00 C ATOM 928 C ASP A 71 8.972 -4.048 3.215 1.00 0.00 C ATOM 929 O ASP A 71 8.807 -3.089 2.462 1.00 0.00 O ATOM 930 CB ASP A 71 11.124 -5.178 3.812 1.00 0.00 C ATOM 931 CG ASP A 71 10.978 -6.222 4.901 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.802 -7.411 4.564 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.043 -5.850 6.093 1.00 0.00 O ATOM 0 H ASP A 71 11.356 -4.686 1.384 1.00 0.00 H new ATOM 0 HA ASP A 71 9.405 -6.122 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.041 -5.365 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.224 -4.193 4.267 1.00 0.00 H new ATOM 938 N HIS A 72 8.338 -4.173 4.376 1.00 0.00 N ATOM 939 CA HIS A 72 7.391 -3.167 4.841 1.00 0.00 C ATOM 940 C HIS A 72 8.113 -1.884 5.245 1.00 0.00 C ATOM 941 O HIS A 72 7.813 -0.803 4.737 1.00 0.00 O ATOM 942 CB HIS A 72 6.583 -3.707 6.022 1.00 0.00 C ATOM 943 CG HIS A 72 5.510 -2.776 6.492 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.486 -2.334 5.680 1.00 0.00 N ATOM 945 CD2 HIS A 72 5.303 -2.203 7.702 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.696 -1.530 6.369 1.00 0.00 C ATOM 947 NE2 HIS A 72 4.169 -1.434 7.597 1.00 0.00 N ATOM 0 H HIS A 72 8.463 -4.961 5.012 1.00 0.00 H new ATOM 0 HA HIS A 72 6.712 -2.935 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.129 -4.656 5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.261 -3.914 6.850 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.359 -2.588 4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.914 -2.327 8.584 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.813 -1.035 5.991 1.00 0.00 H new ATOM 956 N LYS A 73 9.068 -2.013 6.161 1.00 0.00 N ATOM 957 CA LYS A 73 9.835 -0.866 6.632 1.00 0.00 C ATOM 958 C LYS A 73 10.544 -0.174 5.473 1.00 0.00 C ATOM 959 O LYS A 73 10.701 1.046 5.467 1.00 0.00 O ATOM 960 CB LYS A 73 10.856 -1.306 7.682 1.00 0.00 C ATOM 961 CG LYS A 73 10.231 -1.985 8.890 1.00 0.00 C ATOM 962 CD LYS A 73 10.051 -1.013 10.046 1.00 0.00 C ATOM 963 CE LYS A 73 8.615 -0.516 10.135 1.00 0.00 C ATOM 964 NZ LYS A 73 8.523 0.781 10.858 1.00 0.00 N ATOM 0 H LYS A 73 9.329 -2.900 6.591 1.00 0.00 H new ATOM 0 HA LYS A 73 9.142 -0.157 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.569 -1.989 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.420 -0.435 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.264 -2.405 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.860 -2.816 9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.327 -1.501 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.724 -0.165 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.207 -0.402 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.004 -1.261 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.530 1.087 10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.889 0.666 11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.086 1.498 10.358 1.00 0.00 H new ATOM 978 N GLU A 74 10.968 -0.963 4.490 1.00 0.00 N ATOM 979 CA GLU A 74 11.657 -0.426 3.323 1.00 0.00 C ATOM 980 C GLU A 74 10.719 0.452 2.501 1.00 0.00 C ATOM 981 O GLU A 74 11.115 1.505 2.003 1.00 0.00 O ATOM 982 CB GLU A 74 12.206 -1.564 2.459 1.00 0.00 C ATOM 983 CG GLU A 74 13.671 -1.396 2.090 1.00 0.00 C ATOM 984 CD GLU A 74 13.879 -0.410 0.956 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.004 0.461 0.760 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.913 -0.509 0.265 1.00 0.00 O ATOM 0 H GLU A 74 10.846 -1.976 4.479 1.00 0.00 H new ATOM 0 HA GLU A 74 12.490 0.186 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.080 -2.507 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.615 -1.633 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.226 -1.059 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.083 -2.364 1.805 1.00 0.00 H new ATOM 993 N ALA A 75 9.473 0.012 2.368 1.00 0.00 N ATOM 994 CA ALA A 75 8.475 0.758 1.611 1.00 0.00 C ATOM 995 C ALA A 75 8.214 2.116 2.251 1.00 0.00 C ATOM 996 O ALA A 75 8.140 3.135 1.563 1.00 0.00 O ATOM 997 CB ALA A 75 7.184 -0.039 1.514 1.00 0.00 C ATOM 0 H ALA A 75 9.130 -0.858 2.775 1.00 0.00 H new ATOM 0 HA ALA A 75 8.861 0.924 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.447 0.529 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.378 -0.986 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.800 -0.233 2.516 1.00 0.00 H new ATOM 1003 N VAL A 76 8.076 2.122 3.572 1.00 0.00 N ATOM 1004 CA VAL A 76 7.825 3.355 4.305 1.00 0.00 C ATOM 1005 C VAL A 76 9.053 4.260 4.290 1.00 0.00 C ATOM 1006 O VAL A 76 8.935 5.483 4.232 1.00 0.00 O ATOM 1007 CB VAL A 76 7.428 3.070 5.767 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.045 4.357 6.480 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.290 2.062 5.823 1.00 0.00 C ATOM 0 H VAL A 76 8.134 1.288 4.156 1.00 0.00 H new ATOM 0 HA VAL A 76 6.998 3.859 3.805 1.00 0.00 H new ATOM 0 HB VAL A 76 8.289 2.642 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.768 4.134 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.892 5.043 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.200 4.818 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.023 1.873 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.425 2.460 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.606 1.130 5.354 1.00 0.00 H new ATOM 1019 N ASN A 77 10.233 3.648 4.344 1.00 0.00 N ATOM 1020 CA ASN A 77 11.483 4.398 4.339 1.00 0.00 C ATOM 1021 C ASN A 77 11.649 5.182 3.043 1.00 0.00 C ATOM 1022 O ASN A 77 11.895 6.389 3.064 1.00 0.00 O ATOM 1023 CB ASN A 77 12.671 3.451 4.532 1.00 0.00 C ATOM 1024 CG ASN A 77 13.727 4.029 5.454 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.670 5.201 5.824 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.699 3.205 5.830 1.00 0.00 N ATOM 0 H ASN A 77 10.348 2.636 4.392 1.00 0.00 H new ATOM 0 HA ASN A 77 11.452 5.107 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.315 2.505 4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.119 3.232 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.438 3.537 6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.707 2.240 5.499 1.00 0.00 H new ATOM 1033 N VAL A 78 11.516 4.493 1.915 1.00 0.00 N ATOM 1034 CA VAL A 78 11.653 5.132 0.612 1.00 0.00 C ATOM 1035 C VAL A 78 10.605 6.222 0.420 1.00 0.00 C ATOM 1036 O VAL A 78 10.911 7.310 -0.069 1.00 0.00 O ATOM 1037 CB VAL A 78 11.535 4.107 -0.531 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.683 3.113 -0.471 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.197 3.388 -0.469 1.00 0.00 C ATOM 0 H VAL A 78 11.314 3.494 1.877 1.00 0.00 H new ATOM 0 HA VAL A 78 12.645 5.582 0.582 1.00 0.00 H new ATOM 0 HB VAL A 78 11.591 4.640 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.586 2.395 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.630 3.644 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.658 2.586 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.133 2.668 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.108 2.866 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.389 4.114 -0.561 1.00 0.00 H new ATOM 1049 N LEU A 79 9.369 5.927 0.810 1.00 0.00 N ATOM 1050 CA LEU A 79 8.279 6.887 0.682 1.00 0.00 C ATOM 1051 C LEU A 79 8.507 8.090 1.592 1.00 0.00 C ATOM 1052 O LEU A 79 8.090 9.206 1.280 1.00 0.00 O ATOM 1053 CB LEU A 79 6.940 6.221 1.015 1.00 0.00 C ATOM 1054 CG LEU A 79 6.168 5.675 -0.188 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.656 6.813 -1.058 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.041 4.735 -1.003 1.00 0.00 C ATOM 0 H LEU A 79 9.098 5.032 1.217 1.00 0.00 H new ATOM 0 HA LEU A 79 8.253 7.236 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.123 5.403 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.311 6.945 1.532 1.00 0.00 H new ATOM 0 HG LEU A 79 5.311 5.113 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.110 6.404 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.992 7.449 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.499 7.403 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.474 4.358 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.919 5.273 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.358 3.900 -0.379 1.00 0.00 H new ATOM 1068 N LYS A 80 9.171 7.855 2.721 1.00 0.00 N ATOM 1069 CA LYS A 80 9.455 8.919 3.679 1.00 0.00 C ATOM 1070 C LYS A 80 10.695 9.708 3.269 1.00 0.00 C ATOM 1071 O LYS A 80 10.778 10.915 3.497 1.00 0.00 O ATOM 1072 CB LYS A 80 9.654 8.330 5.080 1.00 0.00 C ATOM 1073 CG LYS A 80 8.415 8.402 5.956 1.00 0.00 C ATOM 1074 CD LYS A 80 7.200 7.805 5.263 1.00 0.00 C ATOM 1075 CE LYS A 80 5.927 8.054 6.056 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.376 9.416 5.809 1.00 0.00 N ATOM 0 H LYS A 80 9.522 6.937 2.994 1.00 0.00 H new ATOM 0 HA LYS A 80 8.603 9.598 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.961 7.288 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.469 8.859 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.599 7.871 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.212 9.441 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.100 8.236 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.345 6.733 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.180 7.306 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.132 7.933 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.845 9.733 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.156 10.078 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.741 9.390 4.986 1.00 0.00 H new ATOM 1090 N SER A 81 11.659 9.018 2.669 1.00 0.00 N ATOM 1091 CA SER A 81 12.897 9.651 2.233 1.00 0.00 C ATOM 1092 C SER A 81 12.638 10.661 1.119 1.00 0.00 C ATOM 1093 O SER A 81 12.839 11.862 1.295 1.00 0.00 O ATOM 1094 CB SER A 81 13.894 8.591 1.758 1.00 0.00 C ATOM 1095 OG SER A 81 15.132 8.711 2.438 1.00 0.00 O ATOM 0 H SER A 81 11.606 8.018 2.474 1.00 0.00 H new ATOM 0 HA SER A 81 13.320 10.185 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.479 7.597 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.054 8.693 0.685 1.00 0.00 H new ATOM 0 HG SER A 81 15.750 8.021 2.117 1.00 0.00 H new ATOM 1101 N SER A 82 12.192 10.164 -0.031 1.00 0.00 N ATOM 1102 CA SER A 82 11.908 11.021 -1.174 1.00 0.00 C ATOM 1103 C SER A 82 10.559 11.715 -1.019 1.00 0.00 C ATOM 1104 O SER A 82 9.534 11.063 -0.822 1.00 0.00 O ATOM 1105 CB SER A 82 11.927 10.202 -2.467 1.00 0.00 C ATOM 1106 OG SER A 82 13.197 10.264 -3.092 1.00 0.00 O ATOM 0 H SER A 82 12.020 9.172 -0.195 1.00 0.00 H new ATOM 0 HA SER A 82 12.683 11.786 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.677 9.164 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.164 10.576 -3.149 1.00 0.00 H new ATOM 0 HG SER A 82 13.183 9.731 -3.915 1.00 0.00 H new ATOM 1112 N ARG A 83 10.566 13.041 -1.116 1.00 0.00 N ATOM 1113 CA ARG A 83 9.341 13.823 -0.992 1.00 0.00 C ATOM 1114 C ARG A 83 8.481 13.676 -2.244 1.00 0.00 C ATOM 1115 O ARG A 83 7.266 13.494 -2.158 1.00 0.00 O ATOM 1116 CB ARG A 83 9.673 15.298 -0.752 1.00 0.00 C ATOM 1117 CG ARG A 83 8.876 15.922 0.382 1.00 0.00 C ATOM 1118 CD ARG A 83 9.597 17.125 0.971 1.00 0.00 C ATOM 1119 NE ARG A 83 9.135 18.381 0.386 1.00 0.00 N ATOM 1120 CZ ARG A 83 9.382 19.578 0.914 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.085 19.687 2.034 1.00 0.00 N ATOM 1122 NH2 ARG A 83 8.926 20.671 0.317 1.00 0.00 N ATOM 0 H ARG A 83 11.406 13.596 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 83 8.779 13.445 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.737 15.392 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.486 15.858 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.896 16.227 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.707 15.179 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.441 17.149 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.669 17.021 0.806 1.00 0.00 H new ATOM 0 HE ARG A 83 8.592 18.339 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.440 18.850 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.270 20.608 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.387 20.594 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.114 21.589 0.720 1.00 0.00 H new ATOM 1136 N SER A 84 9.122 13.749 -3.405 1.00 0.00 N ATOM 1137 CA SER A 84 8.420 13.619 -4.678 1.00 0.00 C ATOM 1138 C SER A 84 8.877 12.365 -5.415 1.00 0.00 C ATOM 1139 O SER A 84 9.924 12.362 -6.064 1.00 0.00 O ATOM 1140 CB SER A 84 8.664 14.855 -5.547 1.00 0.00 C ATOM 1141 OG SER A 84 10.000 14.894 -6.017 1.00 0.00 O ATOM 0 H SER A 84 10.127 13.898 -3.492 1.00 0.00 H new ATOM 0 HA SER A 84 7.352 13.535 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.978 14.849 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.452 15.756 -4.971 1.00 0.00 H new ATOM 0 HG SER A 84 10.271 13.998 -6.307 1.00 0.00 H new ATOM 1147 N LEU A 85 8.090 11.298 -5.307 1.00 0.00 N ATOM 1148 CA LEU A 85 8.423 10.037 -5.961 1.00 0.00 C ATOM 1149 C LEU A 85 7.245 9.506 -6.772 1.00 0.00 C ATOM 1150 O LEU A 85 6.085 9.678 -6.393 1.00 0.00 O ATOM 1151 CB LEU A 85 8.853 8.988 -4.925 1.00 0.00 C ATOM 1152 CG LEU A 85 8.469 9.297 -3.476 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.973 9.106 -3.268 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.257 8.416 -2.520 1.00 0.00 C ATOM 0 H LEU A 85 7.220 11.282 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 85 9.252 10.229 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.415 8.029 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.935 8.872 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 85 8.714 10.338 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.718 9.330 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.425 9.777 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.703 8.074 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.973 8.648 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.041 7.368 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.323 8.599 -2.651 1.00 0.00 H new ATOM 1166 N THR A 86 7.554 8.851 -7.887 1.00 0.00 N ATOM 1167 CA THR A 86 6.527 8.280 -8.751 1.00 0.00 C ATOM 1168 C THR A 86 6.269 6.826 -8.372 1.00 0.00 C ATOM 1169 O THR A 86 7.163 5.984 -8.467 1.00 0.00 O ATOM 1170 CB THR A 86 6.952 8.374 -10.216 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.426 9.674 -10.520 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.832 8.056 -11.185 1.00 0.00 C ATOM 0 H THR A 86 8.509 8.703 -8.214 1.00 0.00 H new ATOM 0 HA THR A 86 5.606 8.847 -8.618 1.00 0.00 H new ATOM 0 HB THR A 86 7.739 7.629 -10.336 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.993 10.326 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.200 8.141 -12.207 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.477 7.040 -11.010 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.011 8.758 -11.035 1.00 0.00 H new ATOM 1180 N ILE A 87 5.051 6.538 -7.932 1.00 0.00 N ATOM 1181 CA ILE A 87 4.687 5.188 -7.525 1.00 0.00 C ATOM 1182 C ILE A 87 3.639 4.584 -8.452 1.00 0.00 C ATOM 1183 O ILE A 87 2.601 5.192 -8.717 1.00 0.00 O ATOM 1184 CB ILE A 87 4.151 5.166 -6.081 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.034 6.201 -5.916 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.279 5.429 -5.093 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.480 6.277 -4.509 1.00 0.00 C ATOM 0 H ILE A 87 4.299 7.222 -7.848 1.00 0.00 H new ATOM 0 HA ILE A 87 5.597 4.590 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 87 3.739 4.178 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.414 7.182 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.223 5.961 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.885 5.410 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.043 4.659 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.718 6.406 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.694 7.031 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.069 5.308 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.278 6.548 -3.818 1.00 0.00 H new ATOM 1199 N SER A 88 3.913 3.375 -8.934 1.00 0.00 N ATOM 1200 CA SER A 88 2.994 2.676 -9.821 1.00 0.00 C ATOM 1201 C SER A 88 2.220 1.612 -9.051 1.00 0.00 C ATOM 1202 O SER A 88 2.788 0.604 -8.627 1.00 0.00 O ATOM 1203 CB SER A 88 3.756 2.033 -10.982 1.00 0.00 C ATOM 1204 OG SER A 88 4.023 2.979 -12.003 1.00 0.00 O ATOM 0 H SER A 88 4.767 2.859 -8.723 1.00 0.00 H new ATOM 0 HA SER A 88 2.288 3.401 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.693 1.612 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.174 1.207 -11.390 1.00 0.00 H new ATOM 0 HG SER A 88 4.512 2.544 -12.732 1.00 0.00 H new ATOM 1210 N ILE A 89 0.927 1.845 -8.866 1.00 0.00 N ATOM 1211 CA ILE A 89 0.079 0.912 -8.136 1.00 0.00 C ATOM 1212 C ILE A 89 -0.911 0.221 -9.068 1.00 0.00 C ATOM 1213 O ILE A 89 -1.372 0.808 -10.043 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.692 1.634 -7.009 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.649 0.668 -6.295 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.440 2.837 -7.566 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.016 0.553 -6.940 1.00 0.00 C ATOM 0 H ILE A 89 0.442 2.673 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 89 0.731 0.158 -7.695 1.00 0.00 H new ATOM 0 HB ILE A 89 0.027 1.992 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.191 -0.321 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.774 0.995 -5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.979 3.336 -6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.729 3.533 -8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.149 2.505 -8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.628 -0.149 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.498 1.531 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.906 0.194 -7.963 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.235 -1.029 -8.759 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.176 -1.794 -9.568 1.00 0.00 C ATOM 1231 C VAL A 90 -3.414 -2.161 -8.759 1.00 0.00 C ATOM 1232 O VAL A 90 -3.340 -2.935 -7.805 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.530 -3.079 -10.120 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.473 -3.783 -11.083 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.205 -2.763 -10.796 1.00 0.00 C ATOM 0 H VAL A 90 -0.861 -1.534 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.467 -1.160 -10.406 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.335 -3.751 -9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.998 -4.688 -11.461 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.394 -4.047 -10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.704 -3.119 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.236 -3.683 -11.180 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.373 -2.070 -11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.473 -2.309 -10.073 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.550 -1.592 -9.145 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.811 -1.846 -8.457 1.00 0.00 C ATOM 1247 C ALA A 91 -6.145 -3.334 -8.436 1.00 0.00 C ATOM 1248 O ALA A 91 -5.917 -4.045 -9.415 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.935 -1.062 -9.116 1.00 0.00 C ATOM 0 H ALA A 91 -4.624 -0.949 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.702 -1.515 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.871 -1.260 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.711 0.004 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.029 -1.367 -10.158 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.689 -3.794 -7.308 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.068 -5.198 -7.133 1.00 0.00 C ATOM 1257 C ALA A 92 -5.883 -6.060 -6.703 1.00 0.00 C ATOM 1258 O ALA A 92 -6.067 -7.150 -6.160 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.695 -5.752 -8.404 1.00 0.00 C ATOM 0 H ALA A 92 -6.879 -3.209 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.808 -5.234 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.968 -6.796 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.587 -5.176 -8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.980 -5.681 -9.223 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.667 -5.571 -6.938 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.465 -6.306 -6.563 1.00 0.00 C ATOM 1267 C ALA A 93 -3.438 -6.582 -5.059 1.00 0.00 C ATOM 1268 O ALA A 93 -2.731 -7.476 -4.593 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.229 -5.527 -6.983 1.00 0.00 C ATOM 0 H ALA A 93 -4.490 -4.671 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.472 -7.266 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.335 -6.082 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.239 -5.383 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.225 -4.556 -6.488 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.212 -5.804 -4.309 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.271 -5.965 -2.867 1.00 0.00 C ATOM 1277 C GLY A 94 -5.651 -6.375 -2.384 1.00 0.00 C ATOM 1278 O GLY A 94 -5.786 -7.050 -1.365 1.00 0.00 O ATOM 0 H GLY A 94 -4.804 -5.059 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.544 -6.716 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.985 -5.029 -2.388 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.677 -5.941 -3.109 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.060 -6.236 -2.753 1.00 0.00 C ATOM 1284 C ARG A 95 -8.301 -7.737 -2.632 1.00 0.00 C ATOM 1285 O ARG A 95 -9.097 -8.176 -1.802 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.010 -5.646 -3.798 1.00 0.00 C ATOM 1287 CG ARG A 95 -8.952 -4.130 -3.889 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.656 -3.620 -5.136 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.258 -2.306 -4.926 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.217 -1.798 -5.696 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.684 -2.488 -6.729 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -11.712 -0.596 -5.433 1.00 0.00 N ATOM 0 H ARG A 95 -6.575 -5.379 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.255 -5.782 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.771 -6.069 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.030 -5.948 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.415 -3.693 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.912 -3.804 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.942 -3.565 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.429 -4.330 -5.432 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.924 -1.745 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.308 -3.413 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.419 -2.093 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.358 -0.061 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.447 -0.207 -6.023 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.616 -8.523 -3.457 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.771 -9.976 -3.427 1.00 0.00 C ATOM 1308 C GLU A 96 -7.681 -10.497 -1.994 1.00 0.00 C ATOM 1309 O GLU A 96 -8.468 -11.351 -1.584 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.703 -10.646 -4.296 1.00 0.00 C ATOM 1311 CG GLU A 96 -5.281 -10.281 -3.907 1.00 0.00 C ATOM 1312 CD GLU A 96 -4.244 -11.040 -4.712 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -4.127 -10.773 -5.928 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -3.551 -11.899 -4.130 1.00 0.00 O ATOM 0 H GLU A 96 -6.951 -8.182 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.755 -10.222 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.821 -11.728 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.868 -10.368 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.133 -9.210 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.134 -10.486 -2.847 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.727 -9.969 -1.235 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.544 -10.370 0.155 1.00 0.00 C ATOM 1323 C LEU A 97 -7.678 -9.835 1.025 1.00 0.00 C ATOM 1324 O LEU A 97 -8.282 -10.572 1.802 1.00 0.00 O ATOM 1325 CB LEU A 97 -5.202 -9.863 0.683 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.983 -10.266 -0.145 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.734 -9.578 0.379 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.806 -11.777 -0.134 1.00 0.00 C ATOM 0 H LEU A 97 -6.068 -9.261 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.555 -11.459 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.239 -8.775 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.068 -10.230 1.700 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.145 -9.948 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.875 -9.876 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.862 -8.497 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.568 -9.866 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.933 -12.045 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.666 -12.119 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.692 -12.250 -0.557 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.958 -8.541 0.885 1.00 0.00 N ATOM 1341 CA PHE A 98 -9.017 -7.893 1.655 1.00 0.00 C ATOM 1342 C PHE A 98 -10.345 -8.625 1.488 1.00 0.00 C ATOM 1343 O PHE A 98 -11.191 -8.608 2.382 1.00 0.00 O ATOM 1344 CB PHE A 98 -9.169 -6.434 1.223 1.00 0.00 C ATOM 1345 CG PHE A 98 -8.269 -5.490 1.966 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -6.958 -5.298 1.561 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -8.733 -4.795 3.072 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -6.127 -4.430 2.243 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -7.907 -3.925 3.759 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.602 -3.742 3.344 1.00 0.00 C ATOM 0 H PHE A 98 -7.465 -7.920 0.244 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.736 -7.928 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.961 -6.356 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -10.204 -6.126 1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.581 -5.833 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.752 -4.935 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.107 -4.289 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.281 -3.389 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.954 -3.063 3.879 1.00 0.00 H new ATOM 1360 N MET A 99 -10.524 -9.266 0.337 1.00 0.00 N ATOM 1361 CA MET A 99 -11.750 -10.002 0.053 1.00 0.00 C ATOM 1362 C MET A 99 -12.018 -11.056 1.124 1.00 0.00 C ATOM 1363 O MET A 99 -11.172 -11.906 1.398 1.00 0.00 O ATOM 1364 CB MET A 99 -11.664 -10.669 -1.321 1.00 0.00 C ATOM 1365 CG MET A 99 -11.864 -9.703 -2.478 1.00 0.00 C ATOM 1366 SD MET A 99 -13.481 -8.908 -2.449 1.00 0.00 S ATOM 1367 CE MET A 99 -13.046 -7.239 -2.929 1.00 0.00 C ATOM 0 H MET A 99 -9.835 -9.290 -0.414 1.00 0.00 H new ATOM 0 HA MET A 99 -12.576 -9.291 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.691 -11.149 -1.423 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.415 -11.456 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.087 -8.939 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.745 -10.240 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.944 -6.623 -2.957 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.343 -6.824 -2.206 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.585 -7.253 -3.917 1.00 0.00 H new ATOM 1377 N THR A 100 -13.203 -10.993 1.725 1.00 0.00 N ATOM 1378 CA THR A 100 -13.582 -11.941 2.766 1.00 0.00 C ATOM 1379 C THR A 100 -14.335 -13.130 2.175 1.00 0.00 C ATOM 1380 O THR A 100 -14.315 -14.228 2.732 1.00 0.00 O ATOM 1381 CB THR A 100 -14.448 -11.251 3.822 1.00 0.00 C ATOM 1382 OG1 THR A 100 -13.779 -10.122 4.358 1.00 0.00 O ATOM 1383 CG2 THR A 100 -14.817 -12.156 4.978 1.00 0.00 C ATOM 0 H THR A 100 -13.916 -10.296 1.509 1.00 0.00 H new ATOM 0 HA THR A 100 -12.669 -12.309 3.235 1.00 0.00 H new ATOM 0 HB THR A 100 -15.361 -10.961 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.349 -9.693 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.431 -11.605 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.376 -13.014 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 100 -13.910 -12.502 5.473 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -4.210 -14.084 9.790 1.00 0.00 N ATOM 1393 CA THR B 111 -3.101 -13.586 10.596 1.00 0.00 C ATOM 1394 C THR B 111 -3.097 -12.059 10.635 1.00 0.00 C ATOM 1395 O THR B 111 -3.491 -11.405 9.668 1.00 0.00 O ATOM 1396 CB THR B 111 -1.771 -14.099 10.043 1.00 0.00 C ATOM 1397 OG1 THR B 111 -1.655 -13.802 8.663 1.00 0.00 O ATOM 1398 CG2 THR B 111 -1.589 -15.593 10.209 1.00 0.00 C ATOM 0 HA THR B 111 -3.229 -13.955 11.613 1.00 0.00 H new ATOM 0 HB THR B 111 -1.001 -13.590 10.623 1.00 0.00 H new ATOM 0 HG1 THR B 111 -2.542 -13.827 8.247 1.00 0.00 H new ATOM 0 HG21 THR B 111 -0.625 -15.890 9.796 1.00 0.00 H new ATOM 0 HG22 THR B 111 -1.624 -15.848 11.268 1.00 0.00 H new ATOM 0 HG23 THR B 111 -2.387 -16.117 9.683 1.00 0.00 H new ATOM 1406 N PRO B 112 -2.648 -11.468 11.756 1.00 0.00 N ATOM 1407 CA PRO B 112 -2.596 -10.011 11.914 1.00 0.00 C ATOM 1408 C PRO B 112 -1.524 -9.373 11.039 1.00 0.00 C ATOM 1409 O PRO B 112 -0.537 -10.015 10.679 1.00 0.00 O ATOM 1410 CB PRO B 112 -2.259 -9.825 13.395 1.00 0.00 C ATOM 1411 CG PRO B 112 -1.546 -11.075 13.780 1.00 0.00 C ATOM 1412 CD PRO B 112 -2.159 -12.173 12.957 1.00 0.00 C ATOM 0 HA PRO B 112 -3.529 -9.535 11.614 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -1.632 -8.947 13.551 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -3.160 -9.683 13.992 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -0.477 -10.991 13.583 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -1.659 -11.276 14.845 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -1.428 -12.940 12.703 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -2.970 -12.669 13.490 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.722 -8.103 10.700 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.773 -7.377 9.865 1.00 0.00 C ATOM 1422 C LEU B 113 -0.565 -5.958 10.386 1.00 0.00 C ATOM 1423 O LEU B 113 -1.472 -5.359 10.963 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.261 -7.334 8.416 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.732 -8.674 7.852 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.639 -8.459 6.650 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.541 -9.541 7.473 1.00 0.00 C ATOM 0 H LEU B 113 -2.532 -7.556 10.991 1.00 0.00 H new ATOM 0 HA LEU B 113 0.181 -7.903 9.903 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.081 -6.619 8.346 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.454 -6.956 7.788 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.302 -9.190 8.624 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.964 -9.424 6.262 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.510 -7.877 6.951 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.094 -7.921 5.874 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.895 -10.491 7.073 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.056 -9.029 6.718 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.071 -9.724 8.356 1.00 0.00 H new ATOM 1439 N GLU B 114 0.636 -5.426 10.179 1.00 0.00 N ATOM 1440 CA GLU B 114 0.961 -4.077 10.627 1.00 0.00 C ATOM 1441 C GLU B 114 0.598 -3.047 9.563 1.00 0.00 C ATOM 1442 O GLU B 114 0.476 -3.376 8.383 1.00 0.00 O ATOM 1443 CB GLU B 114 2.450 -3.976 10.965 1.00 0.00 C ATOM 1444 CG GLU B 114 2.923 -5.028 11.955 1.00 0.00 C ATOM 1445 CD GLU B 114 4.267 -4.688 12.569 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.300 -4.922 11.903 1.00 0.00 O ATOM 1447 OE2 GLU B 114 4.289 -4.190 13.713 1.00 0.00 O ATOM 0 H GLU B 114 1.399 -5.908 9.704 1.00 0.00 H new ATOM 0 HA GLU B 114 0.376 -3.867 11.523 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.029 -4.067 10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.655 -2.987 11.374 1.00 0.00 H new ATOM 0 HG2 GLU B 114 2.182 -5.135 12.747 1.00 0.00 H new ATOM 0 HG3 GLU B 114 2.992 -5.992 11.450 1.00 0.00 H new ATOM 1454 N ILE B 115 0.429 -1.800 9.989 1.00 0.00 N ATOM 1455 CA ILE B 115 0.080 -0.721 9.071 1.00 0.00 C ATOM 1456 C ILE B 115 0.884 0.539 9.372 1.00 0.00 C ATOM 1457 O ILE B 115 1.219 0.813 10.524 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.423 -0.388 9.142 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.257 -1.667 9.043 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.802 0.586 8.036 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.727 -1.454 9.333 1.00 0.00 C ATOM 0 H ILE B 115 0.528 -1.511 10.962 1.00 0.00 H new ATOM 0 HA ILE B 115 0.320 -1.070 8.067 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.631 0.084 10.102 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.149 -2.085 8.042 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.860 -2.405 9.741 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.867 0.812 8.099 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.229 1.506 8.149 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.583 0.139 7.066 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.257 -2.403 9.244 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.846 -1.065 10.344 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.139 -0.741 8.619 1.00 0.00 H new ATOM 1473 N THR B 116 1.192 1.301 8.327 1.00 0.00 N ATOM 1474 CA THR B 116 1.957 2.533 8.477 1.00 0.00 C ATOM 1475 C THR B 116 1.215 3.714 7.860 1.00 0.00 C ATOM 1476 O THR B 116 0.450 3.549 6.911 1.00 0.00 O ATOM 1477 CB THR B 116 3.335 2.384 7.827 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.041 1.295 8.397 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.201 3.616 7.969 1.00 0.00 C ATOM 0 H THR B 116 0.923 1.086 7.367 1.00 0.00 H new ATOM 0 HA THR B 116 2.084 2.725 9.542 1.00 0.00 H new ATOM 0 HB THR B 116 3.139 2.219 6.768 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.793 0.467 7.935 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.163 3.442 7.486 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.706 4.465 7.497 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.359 3.830 9.026 1.00 0.00 H new ATOM 1487 N GLU B 117 1.448 4.903 8.404 1.00 0.00 N ATOM 1488 CA GLU B 117 0.802 6.112 7.905 1.00 0.00 C ATOM 1489 C GLU B 117 1.759 6.926 7.042 1.00 0.00 C ATOM 1490 O GLU B 117 2.704 7.532 7.548 1.00 0.00 O ATOM 1491 CB GLU B 117 0.298 6.964 9.072 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.030 6.489 9.643 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.170 6.795 11.121 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.969 7.967 11.507 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -1.484 5.864 11.892 1.00 0.00 O ATOM 0 H GLU B 117 2.079 5.056 9.190 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.046 5.812 7.289 1.00 0.00 H new ATOM 0 HB2 GLU B 117 1.047 6.960 9.864 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.192 7.996 8.738 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.846 6.963 9.098 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.125 5.414 9.487 1.00 0.00 H new ATOM 1502 N LEU B 118 1.509 6.936 5.737 1.00 0.00 N ATOM 1503 CA LEU B 118 2.350 7.676 4.803 1.00 0.00 C ATOM 1504 C LEU B 118 1.773 9.061 4.532 1.00 0.00 C ATOM 1505 O LEU B 118 2.556 10.033 4.511 1.00 0.00 O ATOM 1506 CB LEU B 118 2.492 6.903 3.489 1.00 0.00 C ATOM 1507 CG LEU B 118 3.335 5.629 3.573 1.00 0.00 C ATOM 1508 CD1 LEU B 118 3.079 4.739 2.367 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.815 5.976 3.681 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.542 9.162 4.342 1.00 0.00 O ATOM 0 H LEU B 118 0.731 6.440 5.302 1.00 0.00 H new ATOM 0 HA LEU B 118 3.335 7.795 5.255 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.497 6.639 3.132 1.00 0.00 H new ATOM 0 HB3 LEU B 118 2.933 7.564 2.743 1.00 0.00 H new ATOM 0 HG LEU B 118 3.045 5.081 4.469 1.00 0.00 H new ATOM 0 HD11 LEU B 118 3.687 3.838 2.444 1.00 0.00 H new ATOM 0 HD12 LEU B 118 2.025 4.464 2.335 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.341 5.277 1.456 1.00 0.00 H new ATOM 0 HD21 LEU B 118 5.400 5.058 3.740 1.00 0.00 H new ATOM 0 HD22 LEU B 118 5.120 6.546 2.803 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.984 6.573 4.577 1.00 0.00 H new TER 1522 LEU B 118